Geometry & MOs

Info

ID:	284837
PubChem CID:	104076117
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	-10.29
Dipole, Da:	4.01
IP(EA), eV:	-8.37(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S)-1-hydroxyethyl]-3-(3,3,4-trimethylpiperazin-1-yl)benzonitrile

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)C#N)N2CCN(C(C2)(C)C)C)O

DOS

IR

Vibrations