Geometry & MOs

Info

ID:	279131
PubChem CID:	103841571
Reduced:	BrClN2O2H12C14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	315.00255
ΔH_f, kcal/mol:	-32.7
Dipole, Da:	3.43
IP(EA), eV:	-8.89(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-(1-cyclopropylethyl)-N-methylbenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)NC(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations