Geometry & MOs

Info

ID:	339144
PubChem CID:	127260523
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-76.05
Dipole, Da:	4.61
IP(EA), eV:	-9.46(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzoyl (2S)-4-butan-2-ylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCCCC#CC1C[C@H](NC1)C(=O)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations