Geometry & MOs

Info

ID:	254011
PubChem CID:	103122146
Reduced:	N5C11H15 (1)
Stoich.:	A5B11C15 (1)
Weight, g/mol:	352.0171
ΔH_f, kcal/mol:	89.47
Dipole, Da:	4.3
IP(EA), eV:	-9.04(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCN=C(C1=C2C=CC=CN2N=C1)NN

DOS

IR

Vibrations