Geometry & MOs

Info

ID:	415585
PubChem CID:	135088581
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-13.28
Dipole, Da:	3.67
IP(EA), eV:	-8.55(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=NC=C1C)N2C[C@H]([C@H](C2)OC)CC3=CC(=NO3)C

DOS

IR

Vibrations