Geometry & MOs

Info

ID:	183816
PubChem CID:	77073535
Reduced:	BrN3C8H10 (1)
Stoich.:	AB3C8D10 (1)
Weight, g/mol:	341.07389
ΔH_f, kcal/mol:	47.37
Dipole, Da:	0.67
IP(EA), eV:	-8.64(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-3-hydroxyiminopropyl)-3-bromo-2-methyl-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)C(=NN)N

DOS

IR

Vibrations