Geometry & MOs

Info

ID:	313764
PubChem CID:	126617482
Reduced:	ClON3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	518.169638
ΔH_f, kcal/mol:	41.19
Dipole, Da:	1.32
IP(EA), eV:	-9.68(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-chloro-3-[4-oxo-6-(3-propan-2-ylphenyl)-1H-1,3,5-triazin-2-yl]phenyl]methyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CC1)C2=CC=CC(=C2)C3=NC(=NC(=N3)Cl)OC

DOS

IR

Vibrations