Geometry & MOs

Info

ID:	26326
PubChem CID:	644413
Reduced:	N5H17C19 (1)
Stoich.:	A5B17C19 (1)
Weight, g/mol:	345.137468
ΔH_f, kcal/mol:	148.58
Dipole, Da:	9.27
IP(EA), eV:	-8.96(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]butanamide;hydron;chloride

Drug info:

PubChemData

Smile

CN1CC2C(C(C(C(=C2C=C1)C#N)N)(C#N)C#N)C3=CC=CC=C3

DOS

IR

Vibrations