Geometry & MOs

Info

ID:	407097
PubChem CID:	135079333
Reduced:	ClFNO2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	256.165073
ΔH_f, kcal/mol:	-100.37
Dipole, Da:	1.53
IP(EA), eV:	-8.65(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;(3S,4R)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-olate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1NC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations