Geometry & MOs

Info

ID:	131376
PubChem CID:	51198929
Reduced:	OSN5H11C13 (1)
Stoich.:	ABC5D11E13 (1)
Weight, g/mol:	303.140533
ΔH_f, kcal/mol:	87.8
Dipole, Da:	4.6
IP(EA), eV:	-9.15(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide

Drug info:

PubChemData

Smile

C1=CSC=C1CN2C(=CC=N2)NC(=O)C3=NC=CN=C3

DOS

IR

Vibrations