Geometry & MOs

Info

ID:	311453
PubChem CID:	126592912
Reduced:	OSC12H14 (1)
Stoich.:	ABC12D14 (1)
Weight, g/mol:	204.11503
ΔH_f, kcal/mol:	2.61
Dipole, Da:	3.45
IP(EA), eV:	-8.8(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[cyclopropyl(hydroxy)methyl]-3-ethylbenzaldehyde

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C=O)SC2CC2

DOS

IR

Vibrations