Geometry & MOs

Info

ID:	153083
PubChem CID:	56312214
Reduced:	F2N3O4C24H29 (1)
Stoich.:	A2B3C4D24E29 (1)
Weight, g/mol:	425.195071
ΔH_f, kcal/mol:	-238.96
Dipole, Da:	3.92
IP(EA), eV:	-8.58(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NCCC2=CC=C(C=C2)OC(F)F)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations