Geometry & MOs

Info

ID:	46244
PubChem CID:	10523475
Reduced:	ClOSN2C20H23 (1)
Stoich.:	ABCD2E20F23 (1)
Weight, g/mol:	374.94049
ΔH_f, kcal/mol:	-15.09
Dipole, Da:	5.33
IP(EA), eV:	-8.9(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6,8-dibromo-2-ethylquinazolin-4-yl)amino]ethanol

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C2SC1)C(=O)CCNCCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations