Geometry & MOs

Info

ID:	339143
PubChem CID:	127260522
Reduced:	NO3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	299.152144
ΔH_f, kcal/mol:	-81.53
Dipole, Da:	5.7
IP(EA), eV:	-9.57(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations