Geometry & MOs

Info

ID:

419698

PubChem CID:

135108718

Reduced:

N6O7C30H42 (1)

Stoich.:

A6B7C30D42 (1)

Weight, g/mol:

354.230728

ΔHf, kcal/mol:

-276.55

Dipole, Da:

5.16

IP(EA), eV:

 -8.82(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(N=CO1)C(=O)N[C@H]2CC3=CC=C(C=C3)OCC(=O)NCCN(C(=O)[C@@H](NC(=O)CCCNC2=O)CC(C)C)C

DOS

IR

Vibrations