Geometry & MOs

Info

ID:	171296
PubChem CID:	75355904
Reduced:	NO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	271.106925
ΔH_f, kcal/mol:	-120.47
Dipole, Da:	7.37
IP(EA), eV:	-9.64(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-4-(1-pyrazol-1-ylpropan-2-ylamino)benzonitrile

Drug info:

PubChemData

Smile

C1CC(C1)(C(=O)O)NC(=O)/C=C/C2=CC=CO2

DOS

IR

Vibrations