Geometry & MOs

Info

ID:	429806
PubChem CID:	135169859
Reduced:	SI2N3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	336.108562
ΔH_f, kcal/mol:	104.81
Dipole, Da:	2.55
IP(EA), eV:	-9.15(-2.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-(aminomethylidene)-4,4,4-trifluoro-3-naphthalen-1-yliminobutanoate

Drug info:

PubChemData

Smile

CN(CC=C)CC1=CC2=C(N=C1)N(C=C2I)SI

DOS

IR

Vibrations