Geometry & MOs

Info

ID:

146182

PubChem CID:

53648737

Reduced:

N2O5C25H32 (1)

Stoich.:

A2B5C25D32 (1)

Weight, g/mol:

596.288637

ΔHf, kcal/mol:

-181.16

Dipole, Da:

3.18

IP(EA), eV:

 -8.28(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole;(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CCC(=O)N1[C@@H](C[C@@H](C2=CC(=C(C=C21)OC)OC)N(CC3=CC=CC=C3)C(=O)OCC)C

DOS

IR

Vibrations