Geometry & MOs

Info

ID:	61247
PubChem CID:	26707407
Reduced:	ClO2N4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	383.103669
ΔH_f, kcal/mol:	-20.86
Dipole, Da:	2.98
IP(EA), eV:	-8.56(-1.01)
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-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)CN3C(=CC4=CC=CC=C43)C

DOS

IR

Vibrations