Geometry & MOs

Info

ID:	145583
PubChem CID:	53548757
Reduced:	SO2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	10.6
Dipole, Da:	5.75
IP(EA), eV:	-9.13(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropanecarbonyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CN=C(S1)/C=C/C2=CC(=CC=C2)OCCCC#N

DOS

IR

Vibrations