Geometry & MOs

Info

ID:	137893
PubChem CID:	52279798
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	0.95
Dipole, Da:	4.41
IP(EA), eV:	-8.65(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1-benzofuran-5-yl-[(3R)-3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC1C2=CN(N=N2)CC3CCN(CC3)C(=O)[C@@H]4CC5=CC=CC=C5OC4

DOS

IR

Vibrations