Geometry & MOs

Info

ID:	55663
PubChem CID:	17395756
Reduced:	NO2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	366.121572
ΔH_f, kcal/mol:	-31.55
Dipole, Da:	3.0
IP(EA), eV:	-9.1(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydroxy-5-methoxyphenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one

Drug info:

PubChemData

Smile

CC(C1=CC2=CC=CC=C2O1)NC(=O)CC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations