Geometry & MOs

Info

ID:	204579
PubChem CID:	79986019
Reduced:	OSC16H18 (1)
Stoich.:	ABC16D18 (1)
Weight, g/mol:	288.048797
ΔH_f, kcal/mol:	-11.79
Dipole, Da:	3.15
IP(EA), eV:	-9.05(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(3-ethylthiophen-2-yl)-5-methylquinazoline

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C(=O)C2=C(C=CS2)CC

DOS

IR

Vibrations