Geometry & MOs

Info

ID:	313763
PubChem CID:	126617480
Reduced:	ClF3O3N5C25H27 (1)
Stoich.:	AB3C3D5E25F27 (1)
Weight, g/mol:	275.08254
ΔH_f, kcal/mol:	-233.69
Dipole, Da:	7.74
IP(EA), eV:	-9.68(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-methoxy-6-[3-(1-methylcyclopropyl)phenyl]-1,3,5-triazine

Drug info:

PubChemData

Smile

CCC[C@@H](C)OC1=NC=C(C=C1)C2=NC(=O)N=C(N2)C3=C(C=CC(=C3)CNC(=O)C(C)(C)C(F)(F)F)Cl

DOS

IR

Vibrations