Geometry & MOs

Info

ID:

414795

PubChem CID:

135087758

Reduced:

N6O7C38H48 (1)

Stoich.:

A6B7C38D48 (1)

Weight, g/mol:

356.105833

ΔHf, kcal/mol:

-258.42

Dipole, Da:

5.91

IP(EA), eV:

 -8.58(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(3,4-dichlorophenyl)methanone

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCCC2=CC(=C(C=C2)OC)OCC(=O)NCCC[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)NC(=O)CC4=CC=NC=C4

DOS

IR

Vibrations