Geometry & MOs

Info

ID:	178350
PubChem CID:	76313985
Reduced:	ON5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	456.179755
ΔH_f, kcal/mol:	68.09
Dipole, Da:	6.01
IP(EA), eV:	-7.68(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyphenyl)-N-methyl-4-[3-(4-oxo-1H-quinazolin-2-yl)propanoylamino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C2=CC3=CN=C(C=C3N2)NC4=CC=CC=C4OC

DOS

IR

Vibrations