Geometry & MOs

Info

ID:	305704
PubChem CID:	124966173
Reduced:	O3N5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	273.195346
ΔH_f, kcal/mol:	-71.38
Dipole, Da:	2.27
IP(EA), eV:	-8.86(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(1-methylpyrazol-3-yl)methyl]-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C(=O)NC[C@@]2(CCCN(C2)C3=NC=CC=N3)O

DOS

IR

Vibrations