Geometry & MOs

Info

ID:	214096
PubChem CID:	81067293
Reduced:	O2N6C13H20 (1)
Stoich.:	A2B6C13D20 (1)
Weight, g/mol:	308.104003
ΔH_f, kcal/mol:	0.28
Dipole, Da:	6.07
IP(EA), eV:	-9.45(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)C2=NN=NN2CC(CC)CC(=O)O)C

DOS

IR

Vibrations