Geometry & MOs

Info

ID:	21455
PubChem CID:	588365
Reduced:	ClON3C24H30 (1)
Stoich.:	ABC3D24E30 (1)
Weight, g/mol:	411.20774
ΔH_f, kcal/mol:	-1.95
Dipole, Da:	4.35
IP(EA), eV:	-8.72(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chlorophenyl)quinazolin-5-yl]-2-(dibutylamino)ethanol

Drug info:

PubChemData

Smile

CCCCN(CCCC)CC(C1=C2C=NC(=NC2=CC=C1)C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations