Geometry & MOs

Info

ID:	227140
PubChem CID:	87560326
Reduced:	Cl2N2O4C21H22 (1)
Stoich.:	A2B2C4D21E22 (1)
Weight, g/mol:	412.110232
ΔH_f, kcal/mol:	-69.69
Dipole, Da:	5.7
IP(EA), eV:	-8.17(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-5,8a-dihydro-3H-quinazolin-6-ylidene]hydroxylamine

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=C(Cl)Cl)OCC2=CC=CC=C2/C(=N\OC)/C(=O)NC

DOS

IR

Vibrations