Geometry & MOs

Info

ID:	380479
PubChem CID:	134970940
Reduced:	NO2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-7.88
Dipole, Da:	2.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.866739
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S)-1-(cyclopenta-2,4-dien-1-ylmethyl)-3-methylaziridine-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1[C@H](N1CC2=C[CH-]C=C2)C(=O)OC

DOS

IR

Vibrations