Geometry & MOs

Info

ID:	182198
PubChem CID:	76857307
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-77.68
Dipole, Da:	6.24
IP(EA), eV:	-8.56(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-4aH-quinazolin-2-yl)butanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C=CC2=CC=C(O2)C

DOS

IR

Vibrations