Geometry & MOs

Info

ID:	402775
PubChem CID:	135057213
Reduced:	NCl3C9H16 (1)
Stoich.:	AB3C9D16 (1)
Weight, g/mol:	204.11503
ΔH_f, kcal/mol:	-49.39
Dipole, Da:	4.83
IP(EA), eV:	-10.22(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-hydroxy-3-methylbut-1-en-2-yl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)N=CC(CCCCl)(Cl)Cl

DOS

IR

Vibrations