Geometry & MOs

Info

ID:	343787
PubChem CID:	127266963
Reduced:	N5C18H27 (1)
Stoich.:	A5B18C27 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	44.97
Dipole, Da:	4.33
IP(EA), eV:	-8.57(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,3,6-trimethyl-5-oxopiperazin-1-yl)methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CN(C2CCC(CC2)N)C3=CC=CC=N3

DOS

IR

Vibrations