Geometry & MOs

Info

ID:	252397
PubChem CID:	103111080
Reduced:	Cl2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	269.148789
ΔH_f, kcal/mol:	30.27
Dipole, Da:	4.25
IP(EA), eV:	-8.53(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-[1-(ethylamino)-1-oxopropan-2-yl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC2=C(C=C(C=N2)Cl)Cl

DOS

IR

Vibrations