Geometry & MOs

Info

ID:	275565
PubChem CID:	103816618
Reduced:	BrClON2H10C13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	371.04807
ΔH_f, kcal/mol:	0.42
Dipole, Da:	4.8
IP(EA), eV:	-8.93(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(2-bromo-5-nitroanilino)azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)NC(=O)C2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations