Geometry & MOs

Info

ID:	310497
PubChem CID:	126580871
Reduced:	SF2O2N4H14C16 (1)
Stoich.:	AB2C2D4E14F16 (1)
Weight, g/mol:	142.110613
ΔH_f, kcal/mol:	-100.43
Dipole, Da:	7.59
IP(EA), eV:	-8.36(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(Z)-butan-2-ylideneamino]oxyprop-1-en-2-amine

Drug info:

PubChemData

Smile

CCSC1=C(N=C(C=C1)N)C2=NC3=CC4=C(C=C3N2C)OC(O4)(F)F

DOS

IR

Vibrations