Geometry & MOs

Info

ID:	68274
PubChem CID:	46508094
Reduced:	N3O5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	402.132805
ΔH_f, kcal/mol:	-125.0
Dipole, Da:	3.58
IP(EA), eV:	-8.88(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(quinolin-5-ylamino)ethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)NC3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations