Geometry & MOs

Info

ID:

188984

PubChem CID:

77796943

Reduced:

N2O4C31H34 (1)

Stoich.:

A2B4C31D34 (1)

Weight, g/mol:

556.293722

ΔHf, kcal/mol:

-40.69

Dipole, Da:

6.27

IP(EA), eV:

 -8.6(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(cyclopropylmethyl)-9-methoxy-7-[methyl-[3-(3-methylphenyl)prop-2-enoyl]amino]-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-11-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC12CCC(C3C14CCN(C2CC5=C4C(=CC=C5)O3)CC=C)N(C)C(=O)C=CC6=CC=CC=C6

DOS

IR

Vibrations