Geometry & MOs

Info

ID:	17892
PubChem CID:	525978
Reduced:	NO4C28H35 (1)
Stoich.:	AB4C28D35 (1)
Weight, g/mol:	449.256609
ΔH_f, kcal/mol:	-147.84
Dipole, Da:	3.0
IP(EA), eV:	-8.14(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2-acetyloxyphenyl)-2-(6,6,9a-trimethyl-5a,7,8,9-tetrahydrobenzo[e]isoindol-2-yl)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CC=CC=C1OC(=O)C)N2C=C3C=CC4C(CCCC4(C3=C2)C)(C)C

DOS

IR

Vibrations