Geometry & MOs

Info

ID:	153078
PubChem CID:	56312207
Reduced:	N4O4C25H30 (1)
Stoich.:	A4B4C25D30 (1)
Weight, g/mol:	437.24269
ΔH_f, kcal/mol:	-131.35
Dipole, Da:	5.95
IP(EA), eV:	-8.58(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC(=CC=C2)N3CCCC3=O)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations