Geometry & MOs

Info

ID:	123296
PubChem CID:	50840910
Reduced:	O4N5H25C26 (1)
Stoich.:	A4B5C25D26 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-47.83
Dipole, Da:	6.49
IP(EA), eV:	-8.78(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-methylphenyl)-4-oxo-2-piperidin-1-ylquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)OC)N=C2N4CCN(CC4)C5=CC=CC=N5

DOS

IR

Vibrations