Geometry & MOs

Info

ID:	151074
PubChem CID:	53790771
Reduced:	O2N3H19C20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	63.17
Dipole, Da:	5.53
IP(EA), eV:	-8.51(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-carbamimidoylphenyl)-4-methoxy-3,5-dimethylbenzoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1ON=C2N=C3C=CCCN3CC4=CC=CC=C4

DOS

IR

Vibrations