Geometry & MOs

Info

ID:	243974
PubChem CID:	99303060
Reduced:	ClN3O4C22H30 (1)
Stoich.:	AB3C4D22E30 (1)
Weight, g/mol:	427.166269
ΔH_f, kcal/mol:	-179.47
Dipole, Da:	5.25
IP(EA), eV:	-9.16(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[2-[(4-chlorobenzoyl)amino]benzoyl]-N-propylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)[C@H]1CCCN(C1)C(=O)[C@@H]2CCCN2C(=O)C3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations