Geometry & MOs

Info

ID:	376834
PubChem CID:	134222861
Reduced:	FSO2N8H31C32 (1)
Stoich.:	ABC2D8E31F32 (1)
Weight, g/mol:	223.056405
ΔH_f, kcal/mol:	22.96
Dipole, Da:	10.18
IP(EA), eV:	-8.61(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-4-(2-chlorophenyl)-3-fluorohexa-1,3,5-trien-2-amine

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)C3=CSC(=N3)NC[C@@H]4C[C@H](CN4C(=O)CN5C6=C(C=C(C=C6)C7=CN=NC=C7)C(=N5)C(=O)N)F

DOS

IR

Vibrations