Geometry & MOs

Info

ID:	253939
PubChem CID:	103121701
Reduced:	ON2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	352.0171
ΔH_f, kcal/mol:	-61.82
Dipole, Da:	6.34
IP(EA), eV:	-10.31(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1CCCC(C1)N2C(=C(N=N2)C(=O)O)CN

DOS

IR

Vibrations