Geometry & MOs

Info

ID:

162289

PubChem CID:

57394197

Reduced:

OSN4C30H30 (1)

Stoich.:

ABC4D30E30 (1)

Weight, g/mol:

619.281299

ΔHf, kcal/mol:

71.59

Dipole, Da:

6.48

IP(EA), eV:

 -8.85(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[[2-chloro-5-(3-methoxypropyl)phenyl]methyl]-N-cyclopropyl-6-oxo-1-[4-(3-phenylmethoxypropoxy)phenyl]piperazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC=C(C=C2)C(=C3CCN(CC3)CC4=CSC=N4)C5=CC=CC6=C5N=CC=C6

DOS

IR

Vibrations