Geometry & MOs

Info

ID:	47924
PubChem CID:	10535858
Reduced:	NOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	195.173548
ΔH_f, kcal/mol:	-86.68
Dipole, Da:	1.95
IP(EA), eV:	-9.25(2.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S,5S)-1-azido-3-ethyl-1,3,5-trimethylcyclohexane

Drug info:

PubChemData

Smile

CC(C12C[C@H]3C[C@@H](C1)CC(C3)(C2)O)N

DOS

IR

Vibrations