Geometry & MOs

Info

ID:	152414
PubChem CID:	56311338
Reduced:	FN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	426.19032
ΔH_f, kcal/mol:	-137.57
Dipole, Da:	4.1
IP(EA), eV:	-8.53(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations