Geometry & MOs

Info

ID:	19421
PubChem CID:	563359
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	12.38
Dipole, Da:	1.62
IP(EA), eV:	-9.66(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-benzyl-3-pyrazin-2-ylaziridine-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1C(N1CC2=CC=CC=C2)C3=NC=CN=C3

DOS

IR

Vibrations