Geometry & MOs

Info

ID:	229208
PubChem CID:	87567183
Reduced:	BrIC5H6 (1)
Stoich.:	ABC5D6 (1)
Weight, g/mol:	434.144199
ΔH_f, kcal/mol:	94.01
Dipole, Da:	6.72
IP(EA), eV:	-7.92(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-(3,4-difluorobenzoyl)-1,2-dimethylideneazepino[4,5-b]indole-6-carboxylate

Drug info:

PubChemData

Smile

C1C=CI=CC1Br

DOS

IR

Vibrations