Geometry & MOs

Info

ID:	169743
PubChem CID:	75143320
Reduced:	FN4O5C22H25 (1)
Stoich.:	AB4C5D22E25 (1)
Weight, g/mol:	442.185235
ΔH_f, kcal/mol:	-171.83
Dipole, Da:	7.24
IP(EA), eV:	-8.36(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-N-ethyl-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-1,2,4-triazinane-6-carboxamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C1C(=O)N(C(=O)N(N1)C2=CC(=C(C=C2)OC)OC)CC3=CC(=CC=C3)F

DOS

IR

Vibrations