Geometry & MOs

Info

ID:	291920
PubChem CID:	113796942
Reduced:	NOC15H29 (1)
Stoich.:	ABC15D29 (1)
Weight, g/mol:	251.2613
ΔH_f, kcal/mol:	-79.49
Dipole, Da:	1.13
IP(EA), eV:	-8.79(2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]octan-2-amine

Drug info:

PubChemData

Smile

CCCNCCC1(CCC1)OC2CCCCC2

DOS

IR

Vibrations