Geometry & MOs

Info

ID:	251610
PubChem CID:	103105299
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-82.04
Dipole, Da:	1.76
IP(EA), eV:	-9.96(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[3-(cyclopropylamino)-3-oxopropyl]-5-propan-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)C(C)C(=O)NC2CC2)C(C)C

DOS

IR

Vibrations