Geometry & MOs

Info

ID:	152335
PubChem CID:	56311250
Reduced:	ON2C8H10 (3)
Stoich.:	AB2C8D10 (3)
Weight, g/mol:	419.257277
ΔH_f, kcal/mol:	-43.19
Dipole, Da:	5.76
IP(EA), eV:	-9.02(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N3CCN(CC3)C4=C(N=C(O4)C)C#N

DOS

IR

Vibrations