Geometry & MOs

Info

ID:	369092
PubChem CID:	127331251
Reduced:	OSN5C17H19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	373.182398
ΔH_f, kcal/mol:	37.5
Dipole, Da:	2.36
IP(EA), eV:	-8.62(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexanecarbonyl)-N-(2,3-dihydro-1-benzothiophen-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NN=CC=C2)C(=O)NC3CSC4=CC=CC=C34

DOS

IR

Vibrations