Geometry & MOs

Info

ID:	152934
PubChem CID:	56312029
Reduced:	F2O2N3C22H25 (1)
Stoich.:	A2B2C3D22E25 (1)
Weight, g/mol:	400.247441
ΔH_f, kcal/mol:	-145.85
Dipole, Da:	0.66
IP(EA), eV:	-9.16(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopentylcarbamoyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations