Geometry & MOs

Info

ID:	422513
PubChem CID:	135117963
Reduced:	FN4O4C19H25 (1)
Stoich.:	AB4C4D19E25 (1)
Weight, g/mol:	340.171769
ΔH_f, kcal/mol:	-139.24
Dipole, Da:	5.33
IP(EA), eV:	-8.96(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(=O)NCCNC(=O)C1=C(ON=C1N(C)C)C2=CC(=C(C=C2)F)OC

DOS

IR

Vibrations