Geometry & MOs

Info

ID:	199661
PubChem CID:	79278960
Reduced:	BrON4H13C15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	242.126657
ΔH_f, kcal/mol:	52.16
Dipole, Da:	3.34
IP(EA), eV:	-8.94(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C(OC2=CC=CC=C21)CN3C4=C(C=C(C=N4)Br)N=C3N

DOS

IR

Vibrations