Geometry & MOs

Info

ID:	132488
PubChem CID:	51369209
Reduced:	O2N3C19H19 (1)
Stoich.:	A2B3C19D19 (1)
Weight, g/mol:	481.138619
ΔH_f, kcal/mol:	-36.61
Dipole, Da:	3.38
IP(EA), eV:	-9.09(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)CN2C=NC3=CC=CC=C3C2=O)C

DOS

IR

Vibrations