Geometry & MOs

Info

ID:	148563
PubChem CID:	53788230
Reduced:	NOC28H39 (1)
Stoich.:	ABC28D39 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-64.96
Dipole, Da:	1.61
IP(EA), eV:	-8.46(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[8-(2H-tetrazol-5-yl)octoxy]phenyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)C)C2CC3(CC(N(C3C4=CC(=C(C=C4)C)C)C)(C)C)OC2

DOS

IR

Vibrations