Geometry & MOs

Info

ID:	156644
PubChem CID:	56371490
Reduced:	ON7C22H33 (1)
Stoich.:	AB7C22D33 (1)
Weight, g/mol:	358.225643
ΔH_f, kcal/mol:	28.86
Dipole, Da:	9.49
IP(EA), eV:	-8.9(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-N-(1-cycloheptylpyrrolidin-3-yl)propanamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)N2CCC(C2)NC(=O)C3CCN(CC3)C4=NN5C=NN=C5C=C4

DOS

IR

Vibrations