Geometry & MOs

Info

ID:	245994
PubChem CID:	103034517
Reduced:	O2C17H24 (1)
Stoich.:	A2B17C24 (1)
Weight, g/mol:	212.17763
ΔH_f, kcal/mol:	-94.57
Dipole, Da:	4.3
IP(EA), eV:	-9.32(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxy-3-methylbutyl)cycloheptan-1-one

Drug info:

PubChemData

Smile

CC(C)(CCC1CCCC2=CC=CC=C2C1=O)OC

DOS

IR

Vibrations