Geometry & MOs

Info

ID:	417334
PubChem CID:	135092297
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-78.65
Dipole, Da:	2.94
IP(EA), eV:	-8.32(-0.38)
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]pyridine-4-carbonitrile

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)C3=CC=CC4=C3NC5=C4CCCC5

DOS

IR

Vibrations