Geometry & MOs

Info

ID:	399474
PubChem CID:	135040479
Reduced:	FOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	256.182715
ΔH_f, kcal/mol:	-76.61
Dipole, Da:	3.57
IP(EA), eV:	-9.74(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2-(3-methylphenyl)cyclohexene-1-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(=C(C1)C=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations