Geometry & MOs

Info

ID:	167679
PubChem CID:	74857461
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	412.191069
ΔH_f, kcal/mol:	-9.03
Dipole, Da:	5.39
IP(EA), eV:	-9.3(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(CC)CNCC1C=C2C=CC=CC2=NC1=O

DOS

IR

Vibrations