Geometry & MOs

Info

ID:	362898
PubChem CID:	127309728
Reduced:	SO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-50.3
Dipole, Da:	1.05
IP(EA), eV:	-9.13(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexanecarbonyl)-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)N2CCN(CC2)C(=O)NCC3CCC4=CC=CC=C34

DOS

IR

Vibrations