Geometry & MOs

Info

ID:	418552
PubChem CID:	135105692
Reduced:	N2O2C10H11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	329.106168
ΔH_f, kcal/mol:	-125.72
Dipole, Da:	3.75
IP(EA), eV:	-8.5(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)CN3C(=O)CNC3=O)C4=C1C5=CC=CC=C5N4

DOS

IR

Vibrations