Geometry & MOs

Info

ID:	285051
PubChem CID:	104093453
Reduced:	O2N4C11H20 (1)
Stoich.:	A2B4C11D20 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-66.62
Dipole, Da:	6.15
IP(EA), eV:	-9.88(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCN1C=C(N=N1)CCCO

DOS

IR

Vibrations