Geometry & MOs

Info

ID:	69625
PubChem CID:	47205047
Reduced:	NOC3H3 (4)
Stoich.:	ABC3D3 (4)
Weight, g/mol:	202.085461
ΔH_f, kcal/mol:	-20.77
Dipole, Da:	6.58
IP(EA), eV:	-9.74(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NCC2=CC=NN2

DOS

IR

Vibrations