Geometry & MOs

Info

ID:

441067

PubChem CID:

135232993

Reduced:

NOC32H35 (1)

Stoich.:

ABC32D35 (1)

Weight, g/mol:

541.274757

ΔHf, kcal/mol:

53.35

Dipole, Da:

3.08

IP(EA), eV:

 -9.05(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-(2-chloropropan-2-yl)-3-(2-methoxyphenyl)-2-methylphenyl]-N-[methoxy(phenyl)methyl]-N-[(2-methylcyclohexa-1,5-dien-1-yl)methyl]ethenamine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CC(=NO2)C3=CC(=CC(=C3C=C)C4=CC=CC=C4C(C)C)C(C)(C)C

DOS

IR

Vibrations