Geometry & MOs

Info

ID:	342429
PubChem CID:	127265584
Reduced:	ClO2N3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	-106.92
Dipole, Da:	3.64
IP(EA), eV:	-9.28(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(3-phenylprop-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(NC1)C(=O)NCC2CCCN(C2)C(=O)C=CC3=CC=CC=C3.Cl

DOS

IR

Vibrations