Geometry & MOs

Info

ID:	321892
PubChem CID:	126667232
Reduced:	ClN4H9C12 (1)
Stoich.:	AB4C9D12 (1)
Weight, g/mol:	482.184858
ΔH_f, kcal/mol:	88.75
Dipole, Da:	7.88
IP(EA), eV:	-8.98(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylthieno[3,2-c]pyrazol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C=CC=N2)C3=NC(=NC=C3)Cl

DOS

IR

Vibrations