Geometry & MOs

Info

ID:	285743
PubChem CID:	104124181
Reduced:	N2O2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	278.047361
ΔH_f, kcal/mol:	-2.59
Dipole, Da:	5.08
IP(EA), eV:	-9.01(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-6-methylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)N(C)CC#C)C(=O)O

DOS

IR

Vibrations