Geometry & MOs

Info

ID:	232813
PubChem CID:	87577108
Reduced:	BrN2O4H17C20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	162.082454
ΔH_f, kcal/mol:	-115.26
Dipole, Da:	9.98
IP(EA), eV:	-9.06(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CC2=C(C(=O)C1)C(=C(N2)/C=C/3\C4=C(C=C(C=C4)Br)NC3=O)CCC(=O)O

DOS

IR

Vibrations