Geometry & MOs

Info

ID:	270065
PubChem CID:	103624959
Reduced:	SN2O3C9H12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	268.157563
ΔH_f, kcal/mol:	-92.01
Dipole, Da:	4.31
IP(EA), eV:	-9.86(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)OC)C(=O)C1=CN=CS1

DOS

IR

Vibrations