Geometry & MOs

Info

ID:	202148
PubChem CID:	79636369
Reduced:	N2O2C15H30 (1)
Stoich.:	A2B2C15D30 (1)
Weight, g/mol:	254.18167
ΔH_f, kcal/mol:	-118.16
Dipole, Da:	1.13
IP(EA), eV:	-8.45(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpropylsulfanyl)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)(C(=O)OCC)NC)C(C)C

DOS

IR

Vibrations