Geometry & MOs

Info

ID:	187043
PubChem CID:	77524663
Reduced:	N2O3C22H36 (1)
Stoich.:	A2B3C22D36 (1)
Weight, g/mol:	308.129156
ΔH_f, kcal/mol:	-119.84
Dipole, Da:	3.04
IP(EA), eV:	-8.44(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-2-ethyl-4-prop-2-enylpiperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1COCCN1CCCOC2=CC=C(C=C2)C3(CCOCC3)CN(C)C

DOS

IR

Vibrations