Geometry & MOs

Info

ID:	152663
PubChem CID:	56311692
Reduced:	ClN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	425.195071
ΔH_f, kcal/mol:	-98.61
Dipole, Da:	6.31
IP(EA), eV:	-8.39(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CCC(=O)NCC2=CC=CC=C2Cl)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations