Geometry & MOs

Info

ID:	169947
PubChem CID:	75172658
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	477.198774
ΔH_f, kcal/mol:	-71.23
Dipole, Da:	1.86
IP(EA), eV:	-9.27(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-3,5-dioxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazinane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)C(NN(C2=O)C3=CC=CC=C3)C(=O)NCC(C)C

DOS

IR

Vibrations