Geometry & MOs

Info

ID:	222234
PubChem CID:	85295397
Reduced:	NO5C11H17 (1)
Stoich.:	AB5C11D17 (1)
Weight, g/mol:	244.167459
ΔH_f, kcal/mol:	-240.09
Dipole, Da:	2.45
IP(EA), eV:	-9.98(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methoxy-3-methylhexanal

Drug info:

PubChemData

Smile

CC1(OC2CN3C(C2O1)C(C(CC3=O)O)O)C

DOS

IR

Vibrations