Geometry & MOs

Info

ID:	230544
PubChem CID:	87571316
Reduced:	N2O2C15H20 (1)
Stoich.:	A2B2C15D20 (1)
Weight, g/mol:	385.150345
ΔH_f, kcal/mol:	-60.54
Dipole, Da:	4.64
IP(EA), eV:	-9.05(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(NC(=O)C(N1C/C=C/O)CC2=CC=CC=C2)C

DOS

IR

Vibrations