Geometry & MOs

Info

ID:	277061
PubChem CID:	103826543
Reduced:	BrClON3C13H13 (1)
Stoich.:	ABCD3E13F13 (1)
Weight, g/mol:	376.05532
ΔH_f, kcal/mol:	11.95
Dipole, Da:	2.31
IP(EA), eV:	-9.58(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)benzamide

Drug info:

PubChemData

Smile

CC(CN1C=CC=N1)NC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations