Geometry & MOs

Info

ID:	284836
PubChem CID:	104075714
Reduced:	ON3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	32.32
Dipole, Da:	4.15
IP(EA), eV:	-9.17(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-hydroxyethyl)-3-(3,3,4-trimethylpiperazin-1-yl)benzonitrile

Drug info:

PubChemData

Smile

CCN(CC1=CC=NC=C1)C2=C(C=CC(=C2)C#N)C(C)O

DOS

IR

Vibrations