Geometry & MOs

Info

ID:	28482
PubChem CID:	827894
Reduced:	O2N3C17H17 (1)
Stoich.:	A2B3C17D17 (1)
Weight, g/mol:	337.106256
ΔH_f, kcal/mol:	-5.89
Dipole, Da:	1.65
IP(EA), eV:	-8.97(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC2=NC3=CC=CC=C3C(=O)N2N

DOS

IR

Vibrations