Geometry & MOs

Info

ID:	371053
PubChem CID:	127342245
Reduced:	ClO2N5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	398.206639
ΔH_f, kcal/mol:	-12.45
Dipole, Da:	3.74
IP(EA), eV:	-9.43(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)NC3CCC4=C3C=CC(=C4)Cl

DOS

IR

Vibrations