Geometry & MOs

Info

ID:	371709
PubChem CID:	131270880
Reduced:	BrClNO3H7C9 (1)
Stoich.:	ABCD3E7F9 (1)
Weight, g/mol:	180.101111
ΔH_f, kcal/mol:	-32.2
Dipole, Da:	6.07
IP(EA), eV:	-10.34(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(1H-pyrazol-5-yl)piperidin-2-one

Drug info:

PubChemData

Smile

CC(=O)C(C1=C(C=C(C=C1)[N+](=O)[O-])Cl)Br

DOS

IR

Vibrations