Geometry & MOs

Info

ID:	77798
PubChem CID:	49661558
Reduced:	O3N4H26C27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	413.173942
ΔH_f, kcal/mol:	-19.78
Dipole, Da:	1.88
IP(EA), eV:	-9.04(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[benzyl(ethyl)amino]-4-oxo-3-phenylquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations