Geometry & MOs

Info

ID:	135833
PubChem CID:	51943370
Reduced:	BrO2N3C19H26 (1)
Stoich.:	AB2C3D19E26 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-73.77
Dipole, Da:	5.34
IP(EA), eV:	-8.95(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1Br)C(=O)[C@H]2CCCN(C2)C(=O)N3CCCC3

DOS

IR

Vibrations