Geometry & MOs

Info

ID:	251613
PubChem CID:	103105313
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	-67.01
Dipole, Da:	4.6
IP(EA), eV:	-10.17(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(dimethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations