Geometry & MOs

Info

ID:	378783
PubChem CID:	134224882
Reduced:	SN2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	272.157643
ΔH_f, kcal/mol:	34.11
Dipole, Da:	3.85
IP(EA), eV:	-8.69(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3-[(4-fluorophenyl)methyl]-5-methoxybenzene

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CS1)CC(C)C2=CN(N=C2)C

DOS

IR

Vibrations