Geometry & MOs

Info

ID:	181963
PubChem CID:	76821370
Reduced:	ON2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	454.138338
ΔH_f, kcal/mol:	-77.98
Dipole, Da:	4.16
IP(EA), eV:	-8.61(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-1-[(4-chlorophenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(NC(=O)N(C2=O)C(C)C)NC3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations