Geometry & MOs

Info

ID:	449270
PubChem CID:	135297272
Reduced:	NO2H37C40 (1)
Stoich.:	AB2C37D40 (1)
Weight, g/mol:	577.298079
ΔH_f, kcal/mol:	33.57
Dipole, Da:	2.28
IP(EA), eV:	-7.86(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-methyl-N-[4-[(E)-2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]propyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=CC2=CC=C(C=C2)N(C3=CC=C(C=C3)C)C4=CC=C(C=C4)COC(=O)C(=C)C)C5=CC=C(C=C5)C

DOS

IR

Vibrations