Geometry & MOs

Info

ID:	153048
PubChem CID:	56312169
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-71.58
Dipole, Da:	1.61
IP(EA), eV:	-8.72(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC(=CC(=C3)C)C

DOS

IR

Vibrations