Geometry & MOs

Info

ID:	30484
PubChem CID:	841402
Reduced:	SN2O6C14H14 (1)
Stoich.:	AB2C6D14E14 (1)
Weight, g/mol:	269.152812
ΔH_f, kcal/mol:	-117.19
Dipole, Da:	8.52
IP(EA), eV:	-9.28(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpyrazol-4-yl)cyclopentanecarboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC(=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations