Geometry & MOs

Info

ID:	217721
PubChem CID:	85088270
Reduced:	NO3C10H14 (2)
Stoich.:	AB3C10D14 (2)
Weight, g/mol:	392.173607
ΔH_f, kcal/mol:	-263.27
Dipole, Da:	5.79
IP(EA), eV:	-8.71(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6,6,9,9-tetramethyl-2,4-dioxo-7,8-dihydro-4aH-benzo[g]quinazolin-3-yl)benzoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C1C(=O)OC(=O)N1C2=CC=C(C=C2)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations