Geometry & MOs

Info

ID:	152864
PubChem CID:	56311943
Reduced:	O3N6C25H28 (1)
Stoich.:	A3B6C25D28 (1)
Weight, g/mol:	450.263091
ΔH_f, kcal/mol:	-26.07
Dipole, Da:	7.12
IP(EA), eV:	-8.5(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=NN=C3N2C4=C(C=C(C=C4)C)C(=O)N3C)C5=CC=C(C=C5)C(=O)OC

DOS

IR

Vibrations