Geometry & MOs

Info

ID:	222245
PubChem CID:	85295598
Reduced:	NSC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	269.97529
ΔH_f, kcal/mol:	-8.3
Dipole, Da:	1.35
IP(EA), eV:	-8.54(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(iodomethyl)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)NC1CCCCC1SCC2=CC=CC=C2

DOS

IR

Vibrations