Geometry & MOs

Info

ID:	57790
PubChem CID:	24277362
Reduced:	NOC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	220.030649
ΔH_f, kcal/mol:	-41.86
Dipole, Da:	5.92
IP(EA), eV:	-9.41(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-thiophen-2-ylpyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC(=NC(=N2)C)C(=O)O)C

DOS

IR

Vibrations