Geometry & MOs

Info

ID:	368248
PubChem CID:	127327800
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-25.89
Dipole, Da:	7.27
IP(EA), eV:	-8.78(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)NCC3=CC=C(C=C3)CN4CCOCC4

DOS

IR

Vibrations