Geometry & MOs

Info

ID:	212813
PubChem CID:	81061887
Reduced:	FON2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	270.132805
ΔH_f, kcal/mol:	-34.12
Dipole, Da:	4.44
IP(EA), eV:	-9.13(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[methyl(2-propan-2-yloxyethyl)amino]-2-oxoethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOCCN(C)CC1=CC(=C(C=C1)F)C#CCN

DOS

IR

Vibrations