Geometry & MOs

Info

ID:	30493
PubChem CID:	841412
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	277.081104
ΔH_f, kcal/mol:	-6.02
Dipole, Da:	2.69
IP(EA), eV:	-8.48(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-nitro-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)NC(=O)C2=CC=CC(=C2)C)C

DOS

IR

Vibrations