Geometry & MOs

Info

ID:	395401
PubChem CID:	135025372
Reduced:	O2N4C15H26 (1)
Stoich.:	A2B4C15D26 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-81.22
Dipole, Da:	3.77
IP(EA), eV:	-8.9(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-(3-phenylpyrazol-1-yl)ethyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(C=C1)CCN2CCN(CC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations