Geometry & MOs

Info

ID:

193653

PubChem CID:

78419633

Reduced:

NO7C31H35 (1)

Stoich.:

AB7C31D35 (1)

Weight, g/mol:

584.215866

ΔHf, kcal/mol:

-288.77

Dipole, Da:

7.73

IP(EA), eV:

 -8.88(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(3-ethoxy-4-hydroxyphenyl)-6a,8,9-trimethyl-2-(4-nitrophenyl)-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)C)C2C3=CCC4C(C3CC5C2(C(=O)C(=C(C5=O)C)C)C)C(=O)N(C4=O)CCCC(=O)O

DOS

IR

Vibrations