Geometry & MOs

Info

ID:	202076
PubChem CID:	79625667
Reduced:	ON3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	277.251798
ΔH_f, kcal/mol:	-37.45
Dipole, Da:	2.46
IP(EA), eV:	-8.7(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(methylamino)-3-(4-propylazepan-1-yl)cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CNC1(CCCC(C1)N2CCC(CC2)COC)C#N

DOS

IR

Vibrations