Geometry & MOs

Info

ID:	401627
PubChem CID:	135051864
Reduced:	BrN2O3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	278.105528
ΔH_f, kcal/mol:	-6.29
Dipole, Da:	3.99
IP(EA), eV:	-8.61(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)/C=N/NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations