Geometry & MOs

Info

ID:	251768
PubChem CID:	103106788
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-126.81
Dipole, Da:	3.06
IP(EA), eV:	-8.24(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(tert-butylamino)-2-oxoethyl]-5-cyclopropyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=CC(=C(C(=C1)C)N)C(=O)O

DOS

IR

Vibrations