Geometry & MOs

Info

ID:

188985

PubChem CID:

77796944

Reduced:

N2O5C34H40 (1)

Stoich.:

A2B5C34D40 (1)

Weight, g/mol:

556.293722

ΔHf, kcal/mol:

-132.87

Dipole, Da:

4.61

IP(EA), eV:

 -8.4(-0.28)

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]-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C=CC(=O)N(C)C2CCC3C4CC5=C6C3(C2OC6=C(C=C5OC(=O)C)OC)CCN4CC7CC7

DOS

IR

Vibrations