Geometry & MOs

Info

ID:

419275

PubChem CID:

135107878

Reduced:

F2N5O5C32H41 (1)

Stoich.:

A2B5C5D32E41 (1)

Weight, g/mol:

339.231063

ΔHf, kcal/mol:

-286.58

Dipole, Da:

8.98

IP(EA), eV:

 -9.76(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H]1CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC(C)C)C)C(=O)CC3=C(C(=CC=C3)F)F

DOS

IR

Vibrations