Geometry & MOs

Info

ID:	284308
PubChem CID:	104041975
Reduced:	NO3C10H21 (1)
Stoich.:	AB3C10D21 (1)
Weight, g/mol:	207.1987
ΔH_f, kcal/mol:	-140.55
Dipole, Da:	2.98
IP(EA), eV:	-9.1(1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hex-5-yn-3-yl-2,3-dimethylcyclohexan-1-amine

Drug info:

PubChemData

Smile

COCC(CNC1CCOCC1)OC

DOS

IR

Vibrations