Geometry & MOs

Info

ID:	321903
PubChem CID:	126667247
Reduced:	SN4H10C11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	296.97315
ΔH_f, kcal/mol:	99.76
Dipole, Da:	5.04
IP(EA), eV:	-8.55(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromo-4-chlorophenyl)-1,1-difluorobutan-1-amine

Drug info:

PubChemData

Smile

CN1C2=C(C(=N1)C3=CC(=NC=C3)N)SC=C2

DOS

IR

Vibrations