Geometry & MOs

Info

ID:	167680
PubChem CID:	74857685
Reduced:	FO3N4C22H25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	396.159769
ΔH_f, kcal/mol:	-122.62
Dipole, Da:	0.99
IP(EA), eV:	-9.27(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1C(=O)N(C(=O)N(N1)C2=CC=CC=C2F)CC3=CC=CC=C3C

DOS

IR

Vibrations