Geometry & MOs

Info

ID:	362528
PubChem CID:	127308102
Reduced:	O2N4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	-78.83
Dipole, Da:	7.61
IP(EA), eV:	-7.85(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanothiophen-2-yl)-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)CC(=O)NCC3CCN(C3)C4=CC=CC=C4

DOS

IR

Vibrations