Geometry & MOs

Info

ID:	198247
PubChem CID:	79074262
Reduced:	ON3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	279.256215
ΔH_f, kcal/mol:	-23.94
Dipole, Da:	2.76
IP(EA), eV:	-8.78(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(dimethylamino)-3-methylcyclohexyl]-(3,5-dimethylcyclohexyl)methanone

Drug info:

PubChemData

Smile

CN(C)C1(CCCCCC1)C(=O)C2=C(N=CC=C2)N

DOS

IR

Vibrations