Geometry & MOs

Info

ID:	374649
PubChem CID:	131342340
Reduced:	SBr2F2H6C10 (1)
Stoich.:	AB2C2D6E10 (1)
Weight, g/mol:	200.131349
ΔH_f, kcal/mol:	-65.73
Dipole, Da:	1.5
IP(EA), eV:	-9.21(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,9-dimethyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carbonitrile

Drug info:

PubChemData

Smile

C1=C2C=C(SC2=CC(=C1Br)CBr)C(F)F

DOS

IR

Vibrations