Geometry & MOs

Info

ID:	422700
PubChem CID:	135118267
Reduced:	N2O2F3C18H25 (1)
Stoich.:	A2B2C3D18E25 (1)
Weight, g/mol:	347.185844
ΔH_f, kcal/mol:	-237.78
Dipole, Da:	4.66
IP(EA), eV:	-8.9(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1'-(1-phenyltetrazol-5-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)CC3=CC(=CC=C3)OC(F)(F)F)CO

DOS

IR

Vibrations