Geometry & MOs

Info

ID:	305882
PubChem CID:	124972599
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	559.296555
ΔH_f, kcal/mol:	69.5
Dipole, Da:	4.38
IP(EA), eV:	-8.64(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[(3S)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-3-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CN=C(C=C2)[C@@H]3CCCN(C3)CC4=NN(C=C4)C

DOS

IR

Vibrations