Geometry & MOs

Info

ID:	410286
PubChem CID:	135083077
Reduced:	OC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	272.09094
ΔH_f, kcal/mol:	-80.72
Dipole, Da:	1.35
IP(EA), eV:	-9.33(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-propan-2-yloxy-1-benzofuran-2-yl)-(2H-tetrazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1(O[C@@H](C[C@@H](O1)CC2=CC=CC=C2)CC=C)C

DOS

IR

Vibrations