Geometry & MOs

Info

ID:	214120
PubChem CID:	81067389
Reduced:	NOC8H14 (2)
Stoich.:	ABC8D14 (2)
Weight, g/mol:	310.083268
ΔH_f, kcal/mol:	-60.53
Dipole, Da:	2.02
IP(EA), eV:	-8.77(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(4-chlorophenoxy)methyl]tetrazol-1-yl]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)CNC2CC2)CN(C)CCOC(C)C

DOS

IR

Vibrations