Geometry & MOs

Info

ID:	412906
PubChem CID:	135085843
Reduced:	NOC10H13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	218.993389
ΔH_f, kcal/mol:	-8.93
Dipole, Da:	1.53
IP(EA), eV:	-9.06(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;4-methyl-2-nitrobenzoate

Drug info:

PubChemData

Smile

CCC(=C)OC1=CN=C(C=C1)C

DOS

IR

Vibrations