Geometry & MOs

Info

ID:	36062
PubChem CID:	7980712
Reduced:	N3O5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	369.111341
ΔH_f, kcal/mol:	-170.19
Dipole, Da:	5.02
IP(EA), eV:	-9.09(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2)N

DOS

IR

Vibrations