Geometry & MOs

Info

ID:	248620
PubChem CID:	103083102
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-90.2
Dipole, Da:	2.09
IP(EA), eV:	-9.92(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxycyclopentyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1CCC(C1)NC(=O)C2(CCCCC2)C#N

DOS

IR

Vibrations