Geometry & MOs

Info

ID:	449823
PubChem CID:	135301854
Reduced:	N5C23H27 (1)
Stoich.:	A5B23C27 (1)
Weight, g/mol:	386.195405
ΔH_f, kcal/mol:	71.28
Dipole, Da:	2.68
IP(EA), eV:	-8.56(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-benzyl 1-O-tert-butyl (4S)-3-azido-4-prop-2-enylpyrrolidine-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C)N2CCC3(C2)CCN(C3)CC4=CC5=NC=CN=C5C=C4

DOS

IR

Vibrations