Geometry & MOs

Info

ID:	296412
PubChem CID:	117573069
Reduced:	NO3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	200.188863
ΔH_f, kcal/mol:	-136.18
Dipole, Da:	5.52
IP(EA), eV:	-8.04(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethylpiperazin-1-yl)methyl]butan-1-ol

Drug info:

PubChemData

Smile

CC(C)C(CNC1=CC=C(C=C1)OC(C)C)C(=O)O

DOS

IR

Vibrations