Geometry & MOs

Info

ID:	64923
PubChem CID:	29204205
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	320.163711
ΔH_f, kcal/mol:	-5.69
Dipole, Da:	8.07
IP(EA), eV:	-9.19(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CN=CC=C2

DOS

IR

Vibrations