Geometry & MOs

Info

ID:	68898
PubChem CID:	46511426
Reduced:	NO2H8C12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	395.126991
ΔH_f, kcal/mol:	-46.28
Dipole, Da:	5.35
IP(EA), eV:	-9.53(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-cyanophenyl)phenyl]methyl 2-(4-oxoquinazolin-3-yl)acetate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)COC(=O)CN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations