Geometry & MOs

Info

ID:	339146
PubChem CID:	127260525
Reduced:	NO3H19C22 (1)
Stoich.:	AB3C19D22 (1)
Weight, g/mol:	341.199094
ΔH_f, kcal/mol:	-52.85
Dipole, Da:	4.95
IP(EA), eV:	-8.93(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzoyl (2S)-4-non-1-ynylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1[C@H](NCC1C2=CC=CC3=CC=CC=C32)C(=O)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations