Geometry & MOs

Info

ID:	253053
PubChem CID:	103115757
Reduced:	SO2N5C12H17 (1)
Stoich.:	AB2C5D12E17 (1)
Weight, g/mol:	263.138225
ΔH_f, kcal/mol:	-2.18
Dipole, Da:	3.67
IP(EA), eV:	-9.11(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(3-methylimidazol-4-yl)-1-propan-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCSC)C2=CN=CN2C

DOS

IR

Vibrations