Geometry & MOs

Info

ID:	135832
PubChem CID:	51942634
Reduced:	N2O3C21H30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	407.12084
ΔH_f, kcal/mol:	-142.09
Dipole, Da:	4.44
IP(EA), eV:	-8.97(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(2-bromophenyl)methyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)C(=O)C2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations