Geometry & MOs

Info

ID:	38320
PubChem CID:	8030408
Reduced:	ClN4O4H13C18 (1)
Stoich.:	AB4C4D13E18 (1)
Weight, g/mol:	320.130697
ΔH_f, kcal/mol:	6.41
Dipole, Da:	11.36
IP(EA), eV:	-9.2(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(2-hydroxyethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=NN(C=CC2=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations