Geometry & MOs

Info

ID:	173881
PubChem CID:	75692986
Reduced:	ClOSN4H7C12 (1)
Stoich.:	ABCD4E7F12 (1)
Weight, g/mol:	386.103335
ΔH_f, kcal/mol:	75.54
Dipole, Da:	5.11
IP(EA), eV:	-9.57(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-chloro-2-(3-ethoxyphenyl)ethenyl]-6,7-dimethoxy-6H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=CC3=CSN=N3)Cl

DOS

IR

Vibrations