Geometry & MOs

Info

ID:	167239
PubChem CID:	74796891
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	413.195071
ΔH_f, kcal/mol:	-60.06
Dipole, Da:	6.46
IP(EA), eV:	-9.16(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,3-benzodioxol-5-yl)-5-propylpyrazolidin-4-yl]-3,4-dimethoxybenzamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2C(C1)C(NN2)C(=O)NCC3=CC=CC(=C3)C

DOS

IR

Vibrations