Geometry & MOs

Info

ID:	57277
PubChem CID:	22395579
Reduced:	O5C7H12 (1)
Stoich.:	A5B7C12 (1)
Weight, g/mol:	253.997661
ΔH_f, kcal/mol:	-240.54
Dipole, Da:	5.83
IP(EA), eV:	-11.02(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptane;tetrachloromethane

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(CC(=O)O)O

DOS

IR

Vibrations