Geometry & MOs

Info

ID:	134631
PubChem CID:	51730738
Reduced:	ON3C20H29 (1)
Stoich.:	AB3C20D29 (1)
Weight, g/mol:	486.226705
ΔH_f, kcal/mol:	-27.5
Dipole, Da:	3.08
IP(EA), eV:	-8.61(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=CC=C2NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4

DOS

IR

Vibrations