Geometry & MOs

Info

ID:	182540
PubChem CID:	76902464
Reduced:	ON8C18H20 (1)
Stoich.:	AB8C18D20 (1)
Weight, g/mol:	454.177168
ΔH_f, kcal/mol:	97.89
Dipole, Da:	4.17
IP(EA), eV:	-8.56(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-chloro-4-methoxyphenyl)piperazin-1-yl]-2-cyclopropyl-6,7-dimethoxyquinazoline

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1N=C(N3C2=NC(=N3)CCN4CCC5=C(C4)C=NN5)N

DOS

IR

Vibrations