Geometry & MOs

Info

ID:	254007
PubChem CID:	103122126
Reduced:	N5C10H13 (1)
Stoich.:	A5B10C13 (1)
Weight, g/mol:	269.148789
ΔH_f, kcal/mol:	94.83
Dipole, Da:	4.98
IP(EA), eV:	-8.84(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN=C(C1=NN(C2=CC=CC=C21)C)NN

DOS

IR

Vibrations