Geometry & MOs

Info

ID:	420661
PubChem CID:	135114625
Reduced:	ON5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	12.38
Dipole, Da:	3.29
IP(EA), eV:	-9.03(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4aS,8aS)-4a-(hydroxymethyl)-1,2,3,4,5,6,8,8a-octahydro-1,7-naphthyridin-7-yl]-2-(2-methylimidazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CCC(C(=O)N(C)CCCC1=NC=CN1C)N2C=CC=N2

DOS

IR

Vibrations