Geometry & MOs

Info

ID:	132227
PubChem CID:	51325337
Reduced:	FN2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	377.195071
ΔH_f, kcal/mol:	29.7
Dipole, Da:	5.39
IP(EA), eV:	-9.03(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[1-(1,3-benzodioxol-5-yl)ethylcarbamoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=C(C=C(C=C2)C#N)F)C3=CC=CC=C3

DOS

IR

Vibrations