Geometry & MOs

Info

ID:	418636
PubChem CID:	135106486
Reduced:	NO4C17H23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	350.150954
ΔH_f, kcal/mol:	-170.33
Dipole, Da:	6.91
IP(EA), eV:	-9.21(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chloropyrazol-1-yl)ethyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)N2CCC3=C(C2)C=CC=C3O

DOS

IR

Vibrations