Geometry & MOs

Info

ID:	13121
PubChem CID:	221724
Reduced:	O2C17H26 (1)
Stoich.:	A2B17C26 (1)
Weight, g/mol:	262.19328
ΔH_f, kcal/mol:	-116.4
Dipole, Da:	2.03
IP(EA), eV:	-9.53(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethylheptan-4-yl 2-phenylacetate

Drug info:

PubChemData

Smile

CC(C)CC(CC(C)C)OC(=O)CC1=CC=CC=C1

DOS

IR

Vibrations