Geometry & MOs

Info

ID:	411442
PubChem CID:	135084273
Reduced:	BrNPO4C7H15 (1)
Stoich.:	ABCD4E7F15 (1)
Weight, g/mol:	172.071173
ΔH_f, kcal/mol:	-203.3
Dipole, Da:	1.14
IP(EA), eV:	-9.84(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;2-methoxy-4-methylbenzoate

Drug info:

PubChemData

Smile

CCOP(=O)(C(/C(=N\O)/C)Br)OCC

DOS

IR

Vibrations