Geometry & MOs

Info

ID:	160151
PubChem CID:	57304867
Reduced:	F6N6H24C25 (1)
Stoich.:	A6B6C24D25 (1)
Weight, g/mol:	131.970357
ΔH_f, kcal/mol:	-171.38
Dipole, Da:	6.15
IP(EA), eV:	-9.0(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dithiole-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1(CN=C(N=C1NN)NN=C(C=CC2=CC=C(C=C2)C(F)(F)F)C=CC3=CC=C(C=C3)C(F)(F)F)C

DOS

IR

Vibrations