Geometry & MOs

Info

ID:	351052
PubChem CID:	127279489
Reduced:	ON4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	16.62
Dipole, Da:	5.48
IP(EA), eV:	-8.82(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C2CCCN2C(=O)NC3=CC=C(C=C3)CN4C=CC=N4

DOS

IR

Vibrations