Geometry & MOs

Info

ID:	353711
PubChem CID:	127285288
Reduced:	O2N5C19H29 (1)
Stoich.:	A2B5C19D29 (1)
Weight, g/mol:	371.257277
ΔH_f, kcal/mol:	-40.2
Dipole, Da:	4.81
IP(EA), eV:	-8.73(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-tert-butylpyrrolidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=C(O1)N2CCN(CC2)C(=O)CN3CCCC3C(C)(C)C)C#N

DOS

IR

Vibrations