Geometry & MOs

Info

ID:	417986
PubChem CID:	135103219
Reduced:	O2N5C17H21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	328.226312
ΔH_f, kcal/mol:	-3.22
Dipole, Da:	8.29
IP(EA), eV:	-9.03(-0.79)
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]-6-propan-2-ylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

COCC(C1=CC=CC=N1)NC2=NC(=CN=C2)C(=O)N3CCCC3

DOS

IR

Vibrations