Geometry & MOs

Info

ID:

188978

PubChem CID:

77796582

Reduced:

N2O5H16C18 (1)

Stoich.:

A2B5C16D18 (1)

Weight, g/mol:

660.281107

ΔHf, kcal/mol:

-97.95

Dipole, Da:

6.77

IP(EA), eV:

 -9.78(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C2C3C1C(=C(N3C2=O)C(=O)O)C=CC4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations