Geometry & MOs

Info

ID:	138842
PubChem CID:	52433401
Reduced:	ClO3N4H23C24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-3.7
Dipole, Da:	6.42
IP(EA), eV:	-8.55(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-N-ethyl-3-methylbenzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)[C@H](C4=CC=C(C=C4)Cl)OC)C

DOS

IR

Vibrations