Geometry & MOs

Info

ID:	415977
PubChem CID:	135088982
Reduced:	NSO2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	305.210327
ΔH_f, kcal/mol:	-71.32
Dipole, Da:	4.0
IP(EA), eV:	-8.73(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCC1CN2CCC3(CC2)C4=C(CCO3)SC=C4

DOS

IR

Vibrations