Geometry & MOs

Info

ID:	307966
PubChem CID:	125310987
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	405.18009
ΔH_f, kcal/mol:	-89.56
Dipole, Da:	4.28
IP(EA), eV:	-9.04(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-oxo-1,2-dihydroquinazolin-3-yl)-N-(4-oxo-1H-quinazolin-6-yl)hexanamide

Drug info:

PubChemData

Smile

C1CCC2=NC(=O)[C@@H](C=C2C1)C(=O)NC[C@@H]3CC=CO3

DOS

IR

Vibrations