Geometry & MOs

Info

ID:	220725
PubChem CID:	85230747
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	-103.17
Dipole, Da:	6.62
IP(EA), eV:	-9.61(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-oxopropan-2-yl)-1-pent-4-enylcyclopentane-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(=O)C2(C(=C)C=O)O)C)C

DOS

IR

Vibrations