Geometry & MOs

Info

ID:

427812

PubChem CID:

135163369

Reduced:

SN2H52C68 (1)

Stoich.:

AB2C52D68 (1)

Weight, g/mol:

469.252941

ΔHf, kcal/mol:

217.31

Dipole, Da:

2.88

IP(EA), eV:

 -7.85(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[3-[1-[(4-fluorophenyl)methyl-methylamino]ethenyl]phenyl]methyl]-2-methylidene-5-phenyl-5-propylimidazolidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=CC3=C(C=C2)C4=C(C3(C)C)C=C(C=C4)N5C6=C(C=C(C=C6)C7=CC=C(C=C7)N(C8=CC9=C(C=C8)C1=CC=CC=C1C9(C)C)C1=CC=CC2=C1SC1=CC=CC=C21)C1=CC=CC=C15)C

DOS

IR

Vibrations