Geometry & MOs

Info

ID:	296369
PubChem CID:	117570306
Reduced:	NOCl2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-47.17
Dipole, Da:	3.43
IP(EA), eV:	-8.68(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-methylpiperazin-2-yl)methylamino]benzoate

Drug info:

PubChemData

Smile

CC(=O)CCCNC1=C(C(=CC=C1)Cl)Cl

DOS

IR

Vibrations