Geometry & MOs

Info

ID:	148843
PubChem CID:	53788512
Reduced:	ClNO2C6H6 (2)
Stoich.:	ABC2D6E6 (2)
Weight, g/mol:	239.126991
ΔH_f, kcal/mol:	-146.61
Dipole, Da:	5.21
IP(EA), eV:	-9.36(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-(2-diazoacetyl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1NC(=N2)C3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl)Cl

DOS

IR

Vibrations