Geometry & MOs

Info

ID:	253911
PubChem CID:	103121470
Reduced:	O2N6C11H14 (1)
Stoich.:	A2B6C11D14 (1)
Weight, g/mol:	237.086189
ΔH_f, kcal/mol:	25.99
Dipole, Da:	2.01
IP(EA), eV:	-9.31(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations