Geometry & MOs

Info

ID:	209602
PubChem CID:	80693910
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	346.06808
ΔH_f, kcal/mol:	-103.96
Dipole, Da:	3.71
IP(EA), eV:	-8.61(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-aminophenyl)-N-[1-(3-bromophenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN(C)C(=O)CCC1=CC(=CC=C1)N

DOS

IR

Vibrations