Geometry & MOs

Info

ID:	368244
PubChem CID:	127327796
Reduced:	ClO3N4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	352.226312
ΔH_f, kcal/mol:	-68.16
Dipole, Da:	4.87
IP(EA), eV:	-9.0(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazol-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4

DOS

IR

Vibrations