Geometry & MOs

Info

ID:	399347
PubChem CID:	135039791
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	-43.59
Dipole, Da:	2.2
IP(EA), eV:	-8.93(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4aR,8aS)-2-(2-azidoethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

CC(=O)OC(CN(C)CC=C)/C=C/C1=CC=CC=C1

DOS

IR

Vibrations