Geometry & MOs

Info

ID:	283620
PubChem CID:	103993830
Reduced:	BrClON2C16H22 (1)
Stoich.:	ABCD2E16F22 (1)
Weight, g/mol:	438.96439
ΔH_f, kcal/mol:	-58.3
Dipole, Da:	3.79
IP(EA), eV:	-8.95(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-iodo-N-[3-(2-methylpropoxy)propyl]benzamide

Drug info:

PubChemData

Smile

CC1(CC(CC(N1)(C)C)NC(=O)C2=C(C(=CC=C2)Br)Cl)C

DOS

IR

Vibrations