Geometry & MOs

Info

ID:

141420

PubChem CID:

52875037

Reduced:

BrON3C15H17 (1)

Stoich.:

ABC3D15E17 (1)

Weight, g/mol:

385.166938

ΔHf, kcal/mol:

13.93

Dipole, Da:

8.81

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.065898

Charge, e:

 0

Chem-info

IUPAC name:

5-chloro-6-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC[N+]2=C(C1)NC(=C2)CNC(=O)C3=CC=CC=C3Br

DOS

IR

Vibrations