Geometry & MOs

Info

ID:	126164
PubChem CID:	50954109
Reduced:	N5C10H13 (1)
Stoich.:	A5B10C13 (1)
Weight, g/mol:	325.153875
ΔH_f, kcal/mol:	90.2
Dipole, Da:	5.22
IP(EA), eV:	-9.03(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,6-dimethyl-1-benzofuran-2-yl)-[4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C2(CC2)CN3C=CN=C3

DOS

IR

Vibrations