Geometry & MOs

Info

ID:	270985
PubChem CID:	103639093
Reduced:	BrNO3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	303.02588
ΔH_f, kcal/mol:	-66.43
Dipole, Da:	5.93
IP(EA), eV:	-9.08(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-methylphenyl)-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations