Geometry & MOs

Info

ID:	417666
PubChem CID:	135102418
Reduced:	N2O2C10H13 (2)
Stoich.:	A2B2C10D13 (2)
Weight, g/mol:	265.215413
ΔH_f, kcal/mol:	-75.8
Dipole, Da:	3.98
IP(EA), eV:	-8.95(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-propoxypiperidine

Drug info:

PubChemData

Smile

C1CN(CCN1CCO)C(=O)C2=C(ON=C2N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations