Geometry & MOs

Info

ID:	148602
PubChem CID:	53788270
Reduced:	OC10H20 (1)
Stoich.:	AB10C20 (1)
Weight, g/mol:	322.081679
ΔH_f, kcal/mol:	-85.51
Dipole, Da:	3.62
IP(EA), eV:	-9.71(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carbaldehyde

Drug info:

PubChemData

Smile

CC.CCC1CCCCC1=O

DOS

IR

Vibrations