Geometry & MOs

Info

ID:	152330
PubChem CID:	56311244
Reduced:	F2N3O4C23H27 (1)
Stoich.:	A2B3C4D23E27 (1)
Weight, g/mol:	456.310041
ΔH_f, kcal/mol:	-238.35
Dipole, Da:	5.82
IP(EA), eV:	-8.78(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NC3=CC=CC=C3OC(F)F

DOS

IR

Vibrations