Geometry & MOs

Info

ID:	393788
PubChem CID:	135021686
Reduced:	BrO2N3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	218.118104
ΔH_f, kcal/mol:	-27.29
Dipole, Da:	6.2
IP(EA), eV:	-9.32(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=O)N(C(=O)N2C)C)N=C1C3=CC=C(C=C3)Br

DOS

IR

Vibrations