Geometry & MOs

Info

ID:	49750
PubChem CID:	11533726
Reduced:	ClFN4O5C25H30 (1)
Stoich.:	ABC4D5E25F30 (1)
Weight, g/mol:	520.207755
ΔH_f, kcal/mol:	-233.42
Dipole, Da:	6.73
IP(EA), eV:	-8.91(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(3-chloropyridin-2-yl)piperazin-1-yl]-4-N-ethyl-4-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CCOC(=O)CNC1(CCN(CC1)C(=O)COC2=C(C=C(C=C2)Cl)NC(=O)N)CC3=CC=C(C=C3)F

DOS

IR

Vibrations