Geometry & MOs

Info

ID:	193198
PubChem CID:	78355762
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	435.134969
ΔH_f, kcal/mol:	-49.52
Dipole, Da:	3.46
IP(EA), eV:	-9.21(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-N-[2-(5,8-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)CC(N(C1=O)CC=C)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations