Geometry & MOs

Info

ID:	292849
PubChem CID:	117360803
Reduced:	NC5H7 (3)
Stoich.:	AB5C7 (3)
Weight, g/mol:	243.173548
ΔH_f, kcal/mol:	35.48
Dipole, Da:	2.79
IP(EA), eV:	-8.37(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-5-(2-piperazin-1-ylethyl)benzonitrile

Drug info:

PubChemData

Smile

CC1=NN(C2=CC=CC(=C12)C3(CCCC3)CN)C

DOS

IR

Vibrations