Geometry & MOs

Info

ID:	276720
PubChem CID:	103824796
Reduced:	BrNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	212.09094
ΔH_f, kcal/mol:	-48.77
Dipole, Da:	5.94
IP(EA), eV:	-9.17(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[ethyl(1H-1,2,4-triazole-5-carbonyl)amino]acetate

Drug info:

PubChemData

Smile

COC1CCCN(C1)C(=O)C2=CC3=C(C=C2)C=C(C=C3)Br

DOS

IR

Vibrations