Geometry & MOs

Info

ID:	230707
PubChem CID:	87571700
Reduced:	NO3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	506.166723
ΔH_f, kcal/mol:	-116.42
Dipole, Da:	3.47
IP(EA), eV:	-8.67(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-[(4-nitrophenyl)methyl]aziridin-1-ium-1-yl]acetate;perchlorate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)OC(=O)C)N

DOS

IR

Vibrations