Geometry & MOs

Info

ID:	130700
PubChem CID:	51093587
Reduced:	OSN5C16H21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	300.195011
ΔH_f, kcal/mol:	40.78
Dipole, Da:	9.12
IP(EA), eV:	-8.62(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]pentanamide

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NN=CS3

DOS

IR

Vibrations