Geometry & MOs

Info

ID:	228704
PubChem CID:	87565575
Reduced:	N5F6H13C16 (1)
Stoich.:	A5B6C13D16 (1)
Weight, g/mol:	226.110613
ΔH_f, kcal/mol:	-237.41
Dipole, Da:	7.8
IP(EA), eV:	-8.96(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE)-N-[(E)-1-isoquinolin-4-ylpent-1-en-3-ylidene]hydroxylamine

Drug info:

PubChemData

Smile

CN1C(C2=C(N=C(C=C2)C3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F)N=C1N)N

DOS

IR

Vibrations