Geometry & MOs

Info

ID:	251826
PubChem CID:	103107200
Reduced:	BrOSN2C12H19 (1)
Stoich.:	ABCD2E12F19 (1)
Weight, g/mol:	266.13789
ΔH_f, kcal/mol:	-36.98
Dipole, Da:	4.49
IP(EA), eV:	-9.0(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC1=CC(=C(S1)C)Br

DOS

IR

Vibrations