Geometry & MOs

Info

ID:	338721
PubChem CID:	127259732
Reduced:	NPO4C7H10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	407.170771
ΔH_f, kcal/mol:	-211.72
Dipole, Da:	5.88
IP(EA), eV:	-8.64(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]sulfanylphenyl]aniline

Drug info:

PubChemData

Smile

COP(=O)(O)OC1=CC=C(C=C1)N

DOS

IR

Vibrations