Geometry & MOs

Info

ID:	196840
PubChem CID:	78885075
Reduced:	BrN2O3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	338.09938
ΔH_f, kcal/mol:	-89.04
Dipole, Da:	3.63
IP(EA), eV:	-9.12(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=C1C(=O)NC2=CC=CC(=C2)C(=O)OC)Br

DOS

IR

Vibrations