Geometry & MOs

Info

ID:	277088
PubChem CID:	103826657
Reduced:	BrClNO2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	330.99747
ΔH_f, kcal/mol:	-73.43
Dipole, Da:	4.3
IP(EA), eV:	-9.56(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC(COC)N(C)C(=O)C1=CC(=CC(=C1)Br)Cl

DOS

IR

Vibrations