Geometry & MOs

Info

ID:	252265
PubChem CID:	103110146
Reduced:	OSN2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	2.47
Dipole, Da:	3.83
IP(EA), eV:	-8.54(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC(=O)C2=CC=CS2

DOS

IR

Vibrations