Geometry & MOs

Info

ID:	244611
PubChem CID:	99368218
Reduced:	ON6C24H32 (1)
Stoich.:	AB6C24D32 (1)
Weight, g/mol:	371.148121
ΔH_f, kcal/mol:	23.85
Dipole, Da:	7.7
IP(EA), eV:	-8.87(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CC=CC(=C2)CNC(=O)CCC3=C(N4C(=NC=N4)N=C3C)C

DOS

IR

Vibrations