Geometry & MOs

Info

ID:	420761
PubChem CID:	135114775
Reduced:	NO6C22H23 (1)
Stoich.:	AB6C22D23 (1)
Weight, g/mol:	332.221226
ΔH_f, kcal/mol:	-176.56
Dipole, Da:	7.16
IP(EA), eV:	-8.98(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)OCC2=CC=CC=C2)CN3C[C@]4(C[C@]4(C3)C(=O)O)C(=O)O

DOS

IR

Vibrations