Geometry & MOs

Info

ID:	56504
PubChem CID:	17435988
Reduced:	BrOSN4C14H15 (1)
Stoich.:	ABCD4E14F15 (1)
Weight, g/mol:	418.225643
ΔH_f, kcal/mol:	48.25
Dipole, Da:	7.68
IP(EA), eV:	-9.17(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2-phenylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)SCC(=O)NC3=CC(=CC=C3)Br

DOS

IR

Vibrations