Geometry & MOs

Info

ID:	30673
PubChem CID:	841696
Reduced:	SN2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	279.256215
ΔH_f, kcal/mol:	55.68
Dipole, Da:	9.27
IP(EA), eV:	-8.29(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-cycloheptylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)SC3=NC(=S)NC(=C23)N

DOS

IR

Vibrations