Geometry & MOs

Info

ID:	130928
PubChem CID:	51130736
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	300.111007
ΔH_f, kcal/mol:	-7.79
Dipole, Da:	7.79
IP(EA), eV:	-8.81(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,3-dimethyl-5-[(1-oxidopyridin-1-ium-2-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

CC1=NN=C2N1C=C(C=C2)C(=O)N3CCC(CC3)CCC4=CC=C(C=C4)OC

DOS

IR

Vibrations