Geometry & MOs

Info

ID:	141945
PubChem CID:	52955790
Reduced:	ClON3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	389.12949
ΔH_f, kcal/mol:	5.21
Dipole, Da:	4.32
IP(EA), eV:	-8.32(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-(4-propoxyphenyl)-4aH-quinazolin-4-imine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC2=NC(C3CCCCC3N2)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations