Geometry & MOs

Info

ID:	420386
PubChem CID:	135112885
Reduced:	ON4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	347.163377
ΔH_f, kcal/mol:	109.32
Dipole, Da:	3.25
IP(EA), eV:	-8.79(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5-phenylfuran-2-yl)methylamino]pyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C#N)N2C[C@H]3CN([C@@H](C2)COC3)C

DOS

IR

Vibrations