Geometry & MOs

Info

ID:	412990
PubChem CID:	135085934
Reduced:	PO4C11H21 (1)
Stoich.:	AB4C11D21 (1)
Weight, g/mol:	180.101111
ΔH_f, kcal/mol:	-259.79
Dipole, Da:	2.39
IP(EA), eV:	-10.17(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2H-tetrazol-5-ylmethyl)cyclohexan-1-one

Drug info:

PubChemData

Smile

CCOP(=O)(CCC1CCC(=O)C1)OCC

DOS

IR

Vibrations