Geometry & MOs

Info

ID:	251606
PubChem CID:	103105267
Reduced:	SN3O4C12H19 (1)
Stoich.:	AB3C4D12E19 (1)
Weight, g/mol:	351.05824
ΔH_f, kcal/mol:	-137.41
Dipole, Da:	4.47
IP(EA), eV:	-10.59(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(4-bromophenyl)methyl]-5-propan-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)C2CCS(=O)(=O)C2)C(C)C

DOS

IR

Vibrations