Geometry & MOs

Info

ID:	264671
PubChem CID:	103481502
Reduced:	BrCl2N3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	355.86373
ΔH_f, kcal/mol:	50.79
Dipole, Da:	4.07
IP(EA), eV:	-9.19(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-3-(2-bromo-3-chlorophenyl)propanoate

Drug info:

PubChemData

Smile

CC(C1=CN(N=N1)C2=C(C(=CC=C2)Cl)Br)Cl

DOS

IR

Vibrations