Geometry & MOs

Info

ID:	64958
PubChem CID:	29204252
Reduced:	O3N4C16H18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	292.132411
ΔH_f, kcal/mol:	-9.29
Dipole, Da:	10.35
IP(EA), eV:	-8.95(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CNC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations