Geometry & MOs

Info

ID:	360325
PubChem CID:	127300968
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-96.11
Dipole, Da:	2.68
IP(EA), eV:	-8.42(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3=C(C4=C(CC(O4)(C)C)C=C3)O

DOS

IR

Vibrations