Geometry & MOs

Info

ID:	407090
PubChem CID:	135079313
Reduced:	ClO2H15C17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	305.103264
ΔH_f, kcal/mol:	-24.76
Dipole, Da:	4.34
IP(EA), eV:	-9.04(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,3-dimethylbut-1-ynylsulfanyl(phenyl)methylidene]azanium;tetrafluoroborate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C(\C2=CC=C(C=C2)OC)/Cl)/C=O

DOS

IR

Vibrations