Geometry & MOs

Info

ID:	169742
PubChem CID:	75143311
Reduced:	N4O6C25H26 (1)
Stoich.:	A4B6C25D26 (1)
Weight, g/mol:	444.180898
ΔH_f, kcal/mol:	-134.31
Dipole, Da:	0.92
IP(EA), eV:	-8.54(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)C(NN(C2=O)C3=CC(=C(C=C3)OC)OC)C(=O)NCC4=CC=CO4

DOS

IR

Vibrations