Geometry & MOs

Info

ID:	373484
PubChem CID:	131315983
Reduced:	N2C5H7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	306.91142
ΔH_f, kcal/mol:	67.71
Dipole, Da:	6.93
IP(EA), eV:	-8.83(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-5-(difluoromethyl)-6-nitro-1-benzothiophene

Drug info:

PubChemData

Smile

CC1CC(C1)CN2C=C(C(=N2)C#N)N

DOS

IR

Vibrations