Geometry & MOs

Info

ID:	421640
PubChem CID:	135116335
Reduced:	FN2O6C19H21 (1)
Stoich.:	AB2C6D19E21 (1)
Weight, g/mol:	318.230728
ΔH_f, kcal/mol:	-223.23
Dipole, Da:	5.08
IP(EA), eV:	-9.34(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1(CCN(CC1)C2=NOC(=C2C(=O)O)C3=CC(=C(C=C3)F)OC)C(=O)O

DOS

IR

Vibrations