Geometry & MOs

Info

ID:	367380
PubChem CID:	127324332
Reduced:	ON2C9H15 (2)
Stoich.:	AB2C9D15 (2)
Weight, g/mol:	328.153541
ΔH_f, kcal/mol:	-89.28
Dipole, Da:	2.33
IP(EA), eV:	-9.01(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)NC(C)C3CCCC3)C

DOS

IR

Vibrations