Geometry & MOs

Info

ID:	32215
PubChem CID:	6435946
Reduced:	OSN5H23C31 (1)
Stoich.:	ABC5D23E31 (1)
Weight, g/mol:	400.117155
ΔH_f, kcal/mol:	152.13
Dipole, Da:	5.03
IP(EA), eV:	-8.23(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(5-nitropyridin-2-yl)quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=NN=C(S4)CN(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations