Geometry & MOs

Info

ID:	415784
PubChem CID:	135088785
Reduced:	O2N4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-73.71
Dipole, Da:	4.88
IP(EA), eV:	-8.7(-0.16)
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-naphthyridine-7-carbonyl]-6-methyl-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CNC(=O)C1=C(N=CC=C1)NCC(CN2CCCCC2)O

DOS

IR

Vibrations