Geometry & MOs

Info

ID:	398250
PubChem CID:	135032497
Reduced:	NO2H7C11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	294.12315
ΔH_f, kcal/mol:	-3.78
Dipole, Da:	6.25
IP(EA), eV:	-9.91(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CCC#N)OC2=O

DOS

IR

Vibrations