Geometry & MOs

Info

ID:	253915
PubChem CID:	103121478
Reduced:	ON3C6H8 (2)
Stoich.:	AB3C6D8 (2)
Weight, g/mol:	234.086524
ΔH_f, kcal/mol:	16.47
Dipole, Da:	2.59
IP(EA), eV:	-9.24(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-(pyrimidin-2-ylmethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C/C(=N/O)/N)NC(=O)C1=C2C=NC=CN2N=C1

DOS

IR

Vibrations