Geometry & MOs

Info

ID:	447159
PubChem CID:	135280826
Reduced:	NSC12H27 (1)
Stoich.:	ABC12D27 (1)
Weight, g/mol:	284.198759
ΔH_f, kcal/mol:	-58.71
Dipole, Da:	2.97
IP(EA), eV:	-8.87(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-diethoxy-4-propan-2-yloxycyclohexen-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)CCC(CC(C)C)NC(C)S

DOS

IR

Vibrations