Geometry & MOs

Info

ID:	79852
PubChem CID:	49830842
Reduced:	N2C6H7 (4)
Stoich.:	A2B6C7 (4)
Weight, g/mol:	482.215427
ΔH_f, kcal/mol:	123.65
Dipole, Da:	4.86
IP(EA), eV:	-7.89(-0.51)
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)-5-(trifluoromethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC5=C(C=C4)NN=C5)C

DOS

IR

Vibrations