Geometry & MOs

Info

ID:	291521
PubChem CID:	113228691
Reduced:	ON3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	246.148061
ΔH_f, kcal/mol:	20.97
Dipole, Da:	5.19
IP(EA), eV:	-8.53(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-N-cyclopentyl-1,3-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC1=NC(=CC2=CC=CC=C21)C(=O)N(C)CC3=CC=CC=C3

DOS

IR

Vibrations