Geometry & MOs

Info

ID:	371939
PubChem CID:	131281540
Reduced:	NO5H7C8 (1)
Stoich.:	AB5C7D8 (1)
Weight, g/mol:	229.98032
ΔH_f, kcal/mol:	-90.82
Dipole, Da:	3.63
IP(EA), eV:	-9.9(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(3-bromo-2-methyl-5-oxo-1H-pyrazol-4-yl)acetonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1C=O)O)[N+](=O)[O-]

DOS

IR

Vibrations