Geometry & MOs

Info

ID:	368235
PubChem CID:	127327787
Reduced:	O2N6C15H22 (1)
Stoich.:	A2B6C15D22 (1)
Weight, g/mol:	314.13789
ΔH_f, kcal/mol:	-4.93
Dipole, Da:	2.06
IP(EA), eV:	-8.57(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)NC3=CN(N=C3)CCOC

DOS

IR

Vibrations