Geometry & MOs

Info

ID:	137741
PubChem CID:	52256017
Reduced:	N2O3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	318.254538
ΔH_f, kcal/mol:	-102.76
Dipole, Da:	5.41
IP(EA), eV:	-8.69(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]pentanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C2=CC=CC=C2)CCC(=O)N3CCOCC3

DOS

IR

Vibrations