Geometry & MOs

Info

ID:	136124
PubChem CID:	51983892
Reduced:	NO3C9H10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	348.135304
ΔH_f, kcal/mol:	-62.93
Dipole, Da:	12.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.812802
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C(=O)[O-])N

DOS

IR

Vibrations