Geometry & MOs

Info

ID:	418597
PubChem CID:	135106048
Reduced:	FN3O3C16H20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	305.210327
ΔH_f, kcal/mol:	-142.63
Dipole, Da:	5.38
IP(EA), eV:	-9.71(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC(=CN=C2)F)C(=O)C3CCOC3

DOS

IR

Vibrations