Geometry & MOs

Info

ID:	342447
PubChem CID:	127265602
Reduced:	OSN4H16C19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	309.093583
ΔH_f, kcal/mol:	76.98
Dipole, Da:	5.07
IP(EA), eV:	-8.98(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=CC1=CN(N=C1)CC2=CC=CC=C2)C3=NC4=C(C=CS4)C(=O)N3

DOS

IR

Vibrations