Geometry & MOs

Info

ID:	79818
PubChem CID:	49830581
Reduced:	N2O2H14C19 (1)
Stoich.:	A2B2C14D19 (1)
Weight, g/mol:	414.228043
ΔH_f, kcal/mol:	-4.81
Dipole, Da:	5.44
IP(EA), eV:	-8.45(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC3=C(C=C2)C(=O)NC4=CC=CC=C4N3)O

DOS

IR

Vibrations