Geometry & MOs

Info

ID:	381696
PubChem CID:	134972501
Reduced:	O5C9H14 (1)
Stoich.:	A5B9C14 (1)
Weight, g/mol:	297.195346
ΔH_f, kcal/mol:	-171.27
Dipole, Da:	2.95
IP(EA), eV:	-10.24(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-2-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]tetrazole

Drug info:

PubChemData

Smile

CC1[C@H](C(C([C@@H](O1)OCC#C)O)O)O

DOS

IR

Vibrations