Geometry & MOs

Info

ID:	153069
PubChem CID:	56312195
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	10.84
Dipole, Da:	2.48
IP(EA), eV:	-8.67(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(2-cyanophenoxy)ethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCC(CC3)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations