Geometry & MOs

Info

ID:	166167
PubChem CID:	74644229
Reduced:	NO2C21H28 (1)
Stoich.:	AB2C21D28 (1)
Weight, g/mol:	325.204179
ΔH_f, kcal/mol:	-9.94
Dipole, Da:	2.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.167380
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,4-dimethoxyphenyl)prop-2-enyl]-4-phenylbutan-2-amine

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)[NH2+]CC=CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations