Geometry & MOs

Info

ID:	251964
PubChem CID:	103108128
Reduced:	N3O3C13H27 (1)
Stoich.:	A3B3C13D27 (1)
Weight, g/mol:	296.184841
ΔH_f, kcal/mol:	-169.5
Dipole, Da:	4.35
IP(EA), eV:	-9.3(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[4-(methylamino)-4-oxobutyl]-5-(2-methylpropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations