Geometry & MOs

Info

ID:	145598
PubChem CID:	53554270
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	338.120132
ΔH_f, kcal/mol:	-73.92
Dipole, Da:	4.32
IP(EA), eV:	-9.13(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)N2CCC(CC2)NC(=O)C3=CC=NN3

DOS

IR

Vibrations