Geometry & MOs

Info

ID:	221308
PubChem CID:	85267591
Reduced:	OF3N4H15C21 (1)
Stoich.:	AB3C4D15E21 (1)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	-26.28
Dipole, Da:	11.8
IP(EA), eV:	-9.3(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-phenyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=O)C2=CC(C=CC2=N1)CN(CC#C)C3=CC(=C(C=C3)C#N)C(F)(F)F

DOS

IR

Vibrations