Geometry & MOs

Info

ID:	161504
PubChem CID:	57391840
Reduced:	SO3N7H13C16 (1)
Stoich.:	AB3C7D13E16 (1)
Weight, g/mol:	345.230394
ΔH_f, kcal/mol:	135.82
Dipole, Da:	11.07
IP(EA), eV:	-9.08(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxy-2-methylpropan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(N=N2)CNC3=NN=C(S3)C4=CC=C(O4)[N+](=O)[O-]

DOS

IR

Vibrations