Geometry & MOs

Info

ID:	313759
PubChem CID:	126617438
Reduced:	O3N5H19C24 (1)
Stoich.:	A3B5C19D24 (1)
Weight, g/mol:	546.200938
ΔH_f, kcal/mol:	42.37
Dipole, Da:	3.59
IP(EA), eV:	-8.95(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[6-(3-tert-butylphenyl)-4-oxo-1H-1,3,5-triazin-2-yl]-4-chlorophenyl]methyl]-1-(trifluoromethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)COC2=CC=CC(=C2)C3=CN(N=C3)C4=NC=CC5=C4NC=NC5=O

DOS

IR

Vibrations