Geometry & MOs

Info

ID:	250838
PubChem CID:	103099429
Reduced:	NOSC6H9 (2)
Stoich.:	ABCD6E9 (2)
Weight, g/mol:	238.142976
ΔH_f, kcal/mol:	-82.23
Dipole, Da:	2.98
IP(EA), eV:	-8.48(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-N-(3-methoxycyclopentyl)-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=S)N1)CC(=O)NC2CCC(C2)OC

DOS

IR

Vibrations