Geometry & MOs

Info

ID:	418550
PubChem CID:	135105686
Reduced:	FON5C16H16 (1)
Stoich.:	ABC5D16E16 (1)
Weight, g/mol:	417.299142
ΔH_f, kcal/mol:	48.42
Dipole, Da:	3.17
IP(EA), eV:	-8.91(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=CN=C1NCC2=CC(=NO2)C3=CC(=CC=C3)F

DOS

IR

Vibrations