Geometry & MOs

Info

ID:	126965
PubChem CID:	50985818
Reduced:	ON4H20C24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	436.211055
ΔH_f, kcal/mol:	110.39
Dipole, Da:	3.12
IP(EA), eV:	-8.29(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2R)-1-(3-methoxybenzoyl)pyrrolidine-2-carbonyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(C3=C2N=CN(C3=N)CC4=CC=CO4)C5=CC=CC=C5

DOS

IR

Vibrations