Geometry & MOs

Info

ID:	56216
PubChem CID:	17422652
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	313.088498
ΔH_f, kcal/mol:	-7.51
Dipole, Da:	5.65
IP(EA), eV:	-8.27(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-1,2-oxazol-3-yl)-2-quinolin-2-ylsulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)C(C)C(=O)NC3=NOC(=C3)C

DOS

IR

Vibrations