Geometry & MOs

Info

ID:	84288
PubChem CID:	49865254
Reduced:	N4O9C29H34 (1)
Stoich.:	A4B9C29D34 (1)
Weight, g/mol:	345.111341
ΔH_f, kcal/mol:	-311.37
Dipole, Da:	5.37
IP(EA), eV:	-8.99(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-anilino-1H-quinazolin-2-ylidene)-2,6-dihydroxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)CON1C(=O)CC2=CC=CC=C21)NC(=O)[C@H](C(C)C)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations