Geometry & MOs

Info

ID:	404923
PubChem CID:	135071815
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-132.96
Dipole, Da:	2.97
IP(EA), eV:	-9.15(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(2-azidocyclohexyl)hex-5-ynoate

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)OC(=O)C)C(C)(C)C

DOS

IR

Vibrations