Geometry & MOs

Info

ID:	39173
PubChem CID:	8139865
Reduced:	ClNSO6C18H18 (1)
Stoich.:	ABCD6E18F18 (1)
Weight, g/mol:	360.08373
ΔH_f, kcal/mol:	-194.86
Dipole, Da:	4.81
IP(EA), eV:	-8.99(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

DOS

IR

Vibrations