Geometry & MOs

Info

ID:	51116
PubChem CID:	12013740
Reduced:	NOH21C28 (1)
Stoich.:	ABC21D28 (1)
Weight, g/mol:	287.136887
ΔH_f, kcal/mol:	85.03
Dipole, Da:	2.34
IP(EA), eV:	-7.84(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (2S,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C1C4=C(C=C3)C=CC(O4)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations