Geometry & MOs

Info

ID:	127058
PubChem CID:	50989119
Reduced:	SN2O2C8H8 (1)
Stoich.:	AB2C2D8E8 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	-30.94
Dipole, Da:	6.66
IP(EA), eV:	-9.01(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-4-(pyridin-2-ylmethylamino)benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=NC=C(C=C1)C(=S)N

DOS

IR

Vibrations