Geometry & MOs

Info

ID:	221207
PubChem CID:	85257261
Reduced:	OSN5H11C14 (1)
Stoich.:	ABC5D11E14 (1)
Weight, g/mol:	297.136493
ΔH_f, kcal/mol:	114.74
Dipole, Da:	9.81
IP(EA), eV:	-8.16(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-methoxyphenyl)-1-phenylaziridine-2-carboxylate

Drug info:

PubChemData

Smile

CN1C(=C2C=NC3=C(C=NN3C2=O)C4=CSC=C4)C=CN1

DOS

IR

Vibrations