Geometry & MOs

Info

ID:	244344
PubChem CID:	99344189
Reduced:	O3N4H20C22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-25.79
Dipole, Da:	7.01
IP(EA), eV:	-8.32(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-2,4-dioxo-3-propan-2-yl-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)[C@@H](CCO2)NC(=O)C3=CNN4C3=NC(=O)C5=CC=CC=C54)C

DOS

IR

Vibrations