Geometry & MOs

Info

ID:	304378
PubChem CID:	124570853
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	281.152812
ΔH_f, kcal/mol:	-49.13
Dipole, Da:	2.61
IP(EA), eV:	-9.01(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(2R)-2-methylpiperazin-1-yl]-3-quinolin-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

C[C@@H]([C@H]1CCOC1)NCC2=CC(=NC3=CC=CC=C32)OC

DOS

IR

Vibrations