Geometry & MOs

Info

ID:	416287
PubChem CID:	135089299
Reduced:	Cl2O2N3C14H15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	309.16079
ΔH_f, kcal/mol:	-55.39
Dipole, Da:	9.06
IP(EA), eV:	-8.87(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)C2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations