Geometry & MOs

Info

ID:	153126
PubChem CID:	56312268
Reduced:	O3N4C26H34 (1)
Stoich.:	A3B4C26D34 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-91.35
Dipole, Da:	2.48
IP(EA), eV:	-8.72(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)CN4CCOCC4

DOS

IR

Vibrations