Geometry & MOs

Info

ID:	167684
PubChem CID:	74857690
Reduced:	FN4O4C22H23 (1)
Stoich.:	AB4C4D22E23 (1)
Weight, g/mol:	480.117603
ΔH_f, kcal/mol:	-134.96
Dipole, Da:	3.87
IP(EA), eV:	-9.24(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)-3,5-dioxo-2-[4-(trifluoromethyl)phenyl]-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)N4CCOCC4

DOS

IR

Vibrations