Geometry & MOs

Info

ID:	151873
PubChem CID:	56310696
Reduced:	O3N4C23H32 (1)
Stoich.:	A3B4C23D32 (1)
Weight, g/mol:	418.156243
ΔH_f, kcal/mol:	-89.07
Dipole, Da:	7.21
IP(EA), eV:	-8.48(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-(2-phenoxysulfonylethyl)piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)N(C)C2(CCCCC2)C#N)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations