Geometry & MOs

Info

ID:	186368
PubChem CID:	77425454
Reduced:	ClFN3O3C31H35 (1)
Stoich.:	ABC3D3E31F35 (1)
Weight, g/mol:	584.316269
ΔH_f, kcal/mol:	-142.43
Dipole, Da:	5.97
IP(EA), eV:	-8.36(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-morpholin-4-ylphenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)F)C(=O)N2CCCC(C2C3CC=C(C=C3)NC4CCOC4)C(=O)NC5=CC(=C(C=C5)C)Cl

DOS

IR

Vibrations