Geometry & MOs

Info

ID:	421142
PubChem CID:	135115439
Reduced:	ON2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	411.182792
ΔH_f, kcal/mol:	-21.22
Dipole, Da:	4.2
IP(EA), eV:	-8.92(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3

DOS

IR

Vibrations