Geometry & MOs

Info

ID:	255712
PubChem CID:	103134206
Reduced:	ON2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	251.199762
ΔH_f, kcal/mol:	-3.83
Dipole, Da:	6.12
IP(EA), eV:	-8.51(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]butanenitrile

Drug info:

PubChemData

Smile

CC1CCC(O1)CN(C)C2=CC=CC(=C2)C#N

DOS

IR

Vibrations