Geometry & MOs

Info

ID:	304296
PubChem CID:	124504513
Reduced:	ClON3H18C25 (1)
Stoich.:	ABC3D18E25 (1)
Weight, g/mol:	322.142976
ΔH_f, kcal/mol:	75.71
Dipole, Da:	9.23
IP(EA), eV:	-9.18(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methyl-1,2-oxazol-3-yl)-1-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)N1C=C(C2=C(C3=C(C4=CC=CC=C4C3=O)N=C21)C5=CC=C(C=C5)Cl)C#N

DOS

IR

Vibrations