Geometry & MOs

Info

ID:

335030

PubChem CID:

127253836

Reduced:

NOC12H14 (2)

Stoich.:

ABC12D14 (2)

Weight, g/mol:

512.29987

ΔHf, kcal/mol:

-59.04

Dipole, Da:

6.29

IP(EA), eV:

 -8.09(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-[(10aS)-7,8-dimethoxy-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-methylbutanamide

Drug info:

PubChemData

Smile

CC1(CCC2=C(O1)C=CC(=C2)CC(=O)NCCC3=CN(C4=CC=CC=C43)C)C

DOS

IR

Vibrations