Geometry & MOs

Info

ID:	328521
PubChem CID:	126724129
Reduced:	NO6F18H21C24 (1)
Stoich.:	AB6C18D21E24 (1)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-1083.37
Dipole, Da:	5.2
IP(EA), eV:	-9.42(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,3-dimethylbut-1-en-2-yl)-1,2-dimethoxybenzene

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OC(=O)C

DOS

IR

Vibrations