Geometry & MOs

Info

ID:	278740
PubChem CID:	103837476
Reduced:	FON2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-34.04
Dipole, Da:	8.59
IP(EA), eV:	-9.29(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-dimethylcyclopropyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1(CC1C(=O)NC2=CC(=C(C=C2)F)C#N)C

DOS

IR

Vibrations