Geometry & MOs

Info

ID:	182144
PubChem CID:	76853131
Reduced:	N3O3H21C26 (1)
Stoich.:	A3B3C21D26 (1)
Weight, g/mol:	468.168522
ΔH_f, kcal/mol:	13.74
Dipole, Da:	3.28
IP(EA), eV:	-9.1(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[(1E,4E)-5-(3,4-dimethoxyphenyl)-3-oxopenta-1,4-dienyl]phenoxy]methyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N(C=N2)COC3=CC=C(C=C3)/C=C/C(=O)/C=C/C4=CC=CC=N4

DOS

IR

Vibrations