Geometry & MOs

Info

ID:	253913
PubChem CID:	103121476
Reduced:	O2N5C13H17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	213.086189
ΔH_f, kcal/mol:	1.83
Dipole, Da:	2.4
IP(EA), eV:	-9.12(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-(1-amino-1-oxopropan-2-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations