Geometry & MOs

Info

ID:	415922
PubChem CID:	135088924
Reduced:	OSN3C19H25 (1)
Stoich.:	ABC3D19E25 (1)
Weight, g/mol:	314.210661
ΔH_f, kcal/mol:	-0.9
Dipole, Da:	5.05
IP(EA), eV:	-8.73(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCN(CC1)CC2=CC=C(C=C2)C(=O)NCCC3=NC=CS3

DOS

IR

Vibrations