Geometry & MOs

Info

ID:	321979
PubChem CID:	126667644
Reduced:	OSN2F5C10H13 (1)
Stoich.:	ABC2D5E10F13 (1)
Weight, g/mol:	276.156181
ΔH_f, kcal/mol:	-261.22
Dipole, Da:	5.7
IP(EA), eV:	-8.9(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-1-N-methyl-1-N-[(Z)-1-(methylideneamino)-2-(1,1,1-trifluoropropan-2-ylideneamino)ethenyl]cyclopentane-1,2-diamine

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=C2)S(F)(F)(F)(F)F)N

DOS

IR

Vibrations