Geometry & MOs

Info

ID:	80535
PubChem CID:	49835010
Reduced:	ON10C25H34 (1)
Stoich.:	AB10C25D34 (1)
Weight, g/mol:	457.190548
ΔH_f, kcal/mol:	88.54
Dipole, Da:	4.3
IP(EA), eV:	-8.55(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(4-chloro-2-fluorophenyl)methyl]-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC(=NC(=N2)NC(CC(=O)N(C)C)C3=CC=CC=C3)NC4=NNC(=C4)C5CC5

DOS

IR

Vibrations