Geometry & MOs

Info

ID:	138523
PubChem CID:	52379368
Reduced:	FN3O3C15H18 (1)
Stoich.:	AB3C3D15E18 (1)
Weight, g/mol:	380.209993
ΔH_f, kcal/mol:	-90.03
Dipole, Da:	10.78
IP(EA), eV:	-9.2(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-benzyl-4-methoxyphenyl)-1-butanoylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC[NH+](CC1=NOC(=N1)C)[C@H](C2=CC(=C(C=C2)F)C)C(=O)[O-]

DOS

IR

Vibrations