Geometry & MOs

Info

ID:	153130
PubChem CID:	56312272
Reduced:	O2N5C27H31 (1)
Stoich.:	A2B5C27D31 (1)
Weight, g/mol:	436.247441
ΔH_f, kcal/mol:	19.53
Dipole, Da:	8.87
IP(EA), eV:	-8.72(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC(=NN3C4=CC=CC=C4)C5CC5

DOS

IR

Vibrations