Geometry & MOs

Info

ID:	243973
PubChem CID:	99303059
Reduced:	ClN3O4C22H30 (1)
Stoich.:	AB3C4D22E30 (1)
Weight, g/mol:	435.192484
ΔH_f, kcal/mol:	-174.03
Dipole, Da:	8.53
IP(EA), eV:	-8.99(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(2S)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carbonyl]-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