Geometry & MOs

Info

ID:	214117
PubChem CID:	81067382
Reduced:	N2O2C15H28 (1)
Stoich.:	A2B2C15D28 (1)
Weight, g/mol:	306.115047
ΔH_f, kcal/mol:	-83.75
Dipole, Da:	1.27
IP(EA), eV:	-8.87(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)tetrazol-1-yl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)NCC1=C(OC=C1)CN(C)CCOC(C)C

DOS

IR

Vibrations