Geometry & MOs

Info

ID:	382750
PubChem CID:	134974076
Reduced:	NO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	434.071052
ΔH_f, kcal/mol:	-66.85
Dipole, Da:	3.59
IP(EA), eV:	-9.69(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]azepine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NOC(CCC=C=C)C1=CC=CC=C1

DOS

IR

Vibrations