Geometry & MOs

Info

ID:	127059
PubChem CID:	50989120
Reduced:	O2N3C14H15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	-27.2
Dipole, Da:	4.94
IP(EA), eV:	-8.52(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-4-(pyridin-3-ylmethylamino)benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=N2)N

DOS

IR

Vibrations