Geometry & MOs

Info

ID:	55903
PubChem CID:	17397246
Reduced:	O2N3H17C20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	278.116761
ΔH_f, kcal/mol:	14.13
Dipole, Da:	4.53
IP(EA), eV:	-8.77(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=CC=CC=C2C=C1C(=O)NCC3=CN4C=CC=CC4=N3

DOS

IR

Vibrations