Geometry & MOs

Info

ID:	80634
PubChem CID:	49835647
Reduced:	N4O4C19H26 (1)
Stoich.:	A4B4C19D26 (1)
Weight, g/mol:	463.224435
ΔH_f, kcal/mol:	-145.37
Dipole, Da:	5.44
IP(EA), eV:	-9.93(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2CCN(C2)C(=O)OC3C4CC5CC3CC(C5)(C4)C(=O)N

DOS

IR

Vibrations