Geometry & MOs

Info

ID:	167682
PubChem CID:	74857688
Reduced:	FO3N5H22C24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	410.175419
ΔH_f, kcal/mol:	-62.53
Dipole, Da:	3.97
IP(EA), eV:	-9.34(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-2-(2-fluorophenyl)-4-[(2-methylphenyl)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=CC=C3F)C(=O)NCC4=CN=CC=C4

DOS

IR

Vibrations