Geometry & MOs

Info

ID:	342015
PubChem CID:	127264708
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	343.153206
ΔH_f, kcal/mol:	6.28
Dipole, Da:	2.81
IP(EA), eV:	-8.58(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-1-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CCCCNC(=O)C2=CC3=CC=CC=C3O2)C4=NC=CC=N4

DOS

IR

Vibrations