Geometry & MOs

Info

ID:	225757
PubChem CID:	87225931
Reduced:	NSO3C25H29 (1)
Stoich.:	ABC3D25E29 (1)
Weight, g/mol:	236.200097
ΔH_f, kcal/mol:	-65.52
Dipole, Da:	4.99
IP(EA), eV:	-8.53(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-piperidin-4-ylethyl)piperazin-1-yl]acetonitrile

Drug info:

PubChemData

Smile

CC(CCC/C=C(\CNCC1=CC=CS1)/COC2=CC=CC3=CC=CC=C32)C(=O)O

DOS

IR

Vibrations