Geometry & MOs

Info

ID:	402062
PubChem CID:	135054117
Reduced:	NO2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	288.172545
ΔH_f, kcal/mol:	-101.85
Dipole, Da:	4.26
IP(EA), eV:	-8.68(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,5R,7R)-2-ethyl-2,5,7-trimethyl-4,8-dioxaspiro[2.5]octan-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CCC[C@H](C)[C@@H](CC(=O)NC1=CC=CC=C1)O

DOS

IR

Vibrations