Geometry & MOs

Info

ID:	158017
PubChem CID:	56459407
Reduced:	BrN2O2C23H27 (1)
Stoich.:	AB2C2D23E27 (1)
Weight, g/mol:	402.09429
ΔH_f, kcal/mol:	-66.8
Dipole, Da:	5.81
IP(EA), eV:	-9.36(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-bromophenyl)ethyl]-3-(morpholin-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC(C)C3=CC=C(C=C3)Br

DOS

IR

Vibrations