Geometry & MOs

Info

ID:	120993
PubChem CID:	50752865
Reduced:	ON2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	462.226705
ΔH_f, kcal/mol:	-23.55
Dipole, Da:	3.53
IP(EA), eV:	-8.43(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[1-(3-propoxyquinoxalin-2-yl)piperidine-3-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CCCOC1=NC2=CC=CC=C2N=C1N3CCCC(C3)C(=O)NC4=CC=C(C=C4)C

DOS

IR

Vibrations