Geometry & MOs

Info

ID:	32222
PubChem CID:	6435979
Reduced:	BrN4O4H17C23 (1)
Stoich.:	AB4C4D17E23 (1)
Weight, g/mol:	384.147393
ΔH_f, kcal/mol:	41.23
Dipole, Da:	7.18
IP(EA), eV:	-9.07(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2,5-dihydroxyphenyl)ethyl]-2-[(E)-2-phenylethenyl]quinazolin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/C2=NC3=C(C=C(C=C3)Br)C(=O)N2NC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations