Geometry & MOs

Info

ID:	342983
PubChem CID:	127266146
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	-43.02
Dipole, Da:	3.71
IP(EA), eV:	-9.37(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxolan-2-ylmethyl)-2-(1H-pyrazol-4-yl)benzamide

Drug info:

PubChemData

Smile

COC(=O)C1(CC1)CNC(=O)C2=CC=CC=C2C3=CNN=C3

DOS

IR

Vibrations