Geometry & MOs

Info

ID:	171567
PubChem CID:	75394787
Reduced:	SN3O5C21H25 (1)
Stoich.:	AB3C5D21E25 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-104.97
Dipole, Da:	8.92
IP(EA), eV:	-8.72(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-5-methyl-N-[3-(propanoylamino)phenyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SCC(C)C

DOS

IR

Vibrations