Geometry & MOs

Info

ID:	310795
PubChem CID:	126587550
Reduced:	NO2C8H13 (1)
Stoich.:	AB2C8D13 (1)
Weight, g/mol:	530.448766
ΔH_f, kcal/mol:	-68.1
Dipole, Da:	1.67
IP(EA), eV:	-9.43(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3a-[cyclobutylidene(phenylmethoxy)methyl]-6-ethyl-6-methyl-7-(2,3,6-trimethylhept-5-en-3-yl)-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene

Drug info:

PubChemData

Smile

CC(C=O)N(C)C(=O)C(=C)C

DOS

IR

Vibrations