Geometry & MOs

Info

ID:

417558

PubChem CID:

135102038

Reduced:

N6O7C39H48 (1)

Stoich.:

A6B7C39D48 (1)

Weight, g/mol:

354.241962

ΔHf, kcal/mol:

-253.06

Dipole, Da:

2.61

IP(EA), eV:

 -8.86(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations