Geometry & MOs

Info

ID:	167505
PubChem CID:	74837721
Reduced:	N5O6C29H41 (1)
Stoich.:	A5B6C29D41 (1)
Weight, g/mol:	412.211055
ΔH_f, kcal/mol:	-179.44
Dipole, Da:	5.9
IP(EA), eV:	-8.53(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3,5-dimethoxyphenyl)-5-oxo-1,2,4-triazinan-6-yl]-N-[(3-methylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CCOCCOC1=C(C=C(C=C1)C2NC(=O)C(NN2)CCC(=O)N3CCN(CC3)CC4=CC=C(C=C4)OC)OC

DOS

IR

Vibrations