Geometry & MOs

Info

ID:	441408
PubChem CID:	135234546
Reduced:	ClO2N4H15C21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	41.47
Dipole, Da:	7.84
IP(EA), eV:	-9.23(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-4-(4-propan-2-yloxyphenyl)quinazoline

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C3=C(C=C(C=C3)O)CC4=CC5=C(C=CO5)C(=N4)Cl)C=CN=C2

DOS

IR

Vibrations