Geometry & MOs

Info

ID:	272928
PubChem CID:	103767913
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-93.88
Dipole, Da:	5.22
IP(EA), eV:	-9.37(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)C(=O)N2CCCC(C2)O

DOS

IR

Vibrations