Geometry & MOs

Info

ID:	135560
PubChem CID:	51892320
Reduced:	NOF3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	245.164046
ΔH_f, kcal/mol:	-193.99
Dipole, Da:	3.56
IP(EA), eV:	-9.94(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8aS)-spiro[6,7,8,8a-tetrahydro-5H-tetrazolo[5,1-b]quinazoline-9,1'-cyclohexane]

Drug info:

PubChemData

Smile

C[C@@](CO)(C1=CC(=CC=C1)C(F)(F)F)N

DOS

IR

Vibrations