Geometry & MOs

Info

ID:	152181
PubChem CID:	56311053
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	450.263091
ΔH_f, kcal/mol:	-46.2
Dipole, Da:	6.31
IP(EA), eV:	-8.31(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=C(OC(=N2)C3=CC=CS3)C)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations