Geometry & MOs

Info

ID:

190588

PubChem CID:

78024774

Reduced:

NC48H53 (1)

Stoich.:

AB48C53 (1)

Weight, g/mol:

447.189317

ΔHf, kcal/mol:

100.0

Dipole, Da:

4.76

IP(EA), eV:

 -7.8(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[(4a-hydroxy-9-methoxy-3,4,12-trimethyl-2,4,5,7a-tetrahydro-1H-[1]benzofuro[3,2-e]isoquinolin-7-yl)oxy]-2-oxoethoxy]acetic acid

Drug info:

PubChemData

Smile

CCCC1C(=CCC)C(=C2C=CC=CC2=C1C3=CC=C4C=C(CCC4C3)C)C5=CC=C(CC5)C(CC6=CC=CC=C6)NC7=CC=CC=C7C

DOS

IR

Vibrations