Geometry & MOs

Info

ID:	183814
PubChem CID:	77073498
Reduced:	BrN2O3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	327.05824
ΔH_f, kcal/mol:	-81.81
Dipole, Da:	2.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754860
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-bromo-N,2-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)C(=O)C2C=[N+](C(=O)N(C2=O)C)C

DOS

IR

Vibrations