Geometry & MOs

Info

ID:	29400
PubChem CID:	833547
Reduced:	OSN2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	290.145285
ΔH_f, kcal/mol:	8.91
Dipole, Da:	4.29
IP(EA), eV:	-8.65(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[benzyl(methyl)carbamothioyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=S)NC(=O)C2CC2

DOS

IR

Vibrations