Geometry & MOs

Info

ID:	158025
PubChem CID:	56459415
Reduced:	ClN3C20H22 (1)
Stoich.:	AB3C20D22 (1)
Weight, g/mol:	390.180424
ΔH_f, kcal/mol:	54.46
Dipole, Da:	10.08
IP(EA), eV:	-8.66(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-2-N-methyl-2-N-[(1-phenylpyrazol-4-yl)methyl]quinazoline-2,4-diamine

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC=CC=C2CNC3=CC(=C(C=C3)C#N)Cl

DOS

IR

Vibrations