Geometry & MOs

Info

ID:	310577
PubChem CID:	126582657
Reduced:	SN2H26C40 (1)
Stoich.:	AB2C26D40 (1)
Weight, g/mol:	198.089209
ΔH_f, kcal/mol:	180.66
Dipole, Da:	2.81
IP(EA), eV:	-8.33(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-formyl-3-oxabicyclo[3.3.1]nonane-7-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(S4)C=C(C=C5)C6=C(C=CC=C6N7C8=CC=CC=C8C9=CC=CC=C97)C#N)C

DOS

IR

Vibrations