Geometry & MOs

Info

ID:	61251
PubChem CID:	26707417
Reduced:	ClO2N5H24C25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	397.119319
ΔH_f, kcal/mol:	18.56
Dipole, Da:	9.3
IP(EA), eV:	-9.29(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)/C=C/C3=CN(N=C3)CC4=CC=CC=C4

DOS

IR

Vibrations