Geometry & MOs

Info

ID:	146071
PubChem CID:	53630955
Reduced:	Cl2O3N6H22C23 (1)
Stoich.:	A2B3C6D22E23 (1)
Weight, g/mol:	529.139593
ΔH_f, kcal/mol:	18.26
Dipole, Da:	7.79
IP(EA), eV:	-8.67(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-6-methoxy-7-[[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]quinazolin-4-amine

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)Cl)Cl)OCC4=NOC(=N4)C5CCCCN5

DOS

IR

Vibrations