Geometry & MOs

Info

ID:	262067
PubChem CID:	103268014
Reduced:	SN2O2C11H16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	253.088498
ΔH_f, kcal/mol:	-40.16
Dipole, Da:	5.2
IP(EA), eV:	-9.45(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(thian-3-ylamino)methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1CCCNCC2=CSC(=N2)C(=O)O

DOS

IR

Vibrations