Geometry & MOs

Info

ID:	386399
PubChem CID:	134981622
Reduced:	MoO3C14H16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	128.978155
ΔH_f, kcal/mol:	17.04
Dipole, Da:	3.45
IP(EA), eV:	-7.53(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-chloro-2-fluoro-1-isocyanobut-1-en-3-yne

Drug info:

PubChemData

Smile

CC1C=C(C=C(C=C1C)C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo]

DOS

IR

Vibrations