Geometry & MOs

Info

ID:	139344
PubChem CID:	52513948
Reduced:	ClON4H19C20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	60.36
Dipole, Da:	2.81
IP(EA), eV:	-9.59(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[3-[(3R)-3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]1C(=O)NCC2=CC=C(C=C2)CN3C=NC=N3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations