Geometry & MOs

Info

ID:	252425
PubChem CID:	103111282
Reduced:	O2N5C12H15 (1)
Stoich.:	A2B5C12D15 (1)
Weight, g/mol:	226.142976
ΔH_f, kcal/mol:	1.82
Dipole, Da:	5.81
IP(EA), eV:	-10.25(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-butan-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CN=CC=C2)CN

DOS

IR

Vibrations