Geometry & MOs

Info

ID:	140631
PubChem CID:	52732262
Reduced:	OCl2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	406.249452
ΔH_f, kcal/mol:	11.72
Dipole, Da:	8.59
IP(EA), eV:	-8.75(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3R)-1-benzyl-N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=C(C=C1)Cl)Cl)N(C)C(=O)CNC2=CC=C(C=C2)C#N

DOS

IR

Vibrations