Geometry & MOs

Info

ID:	150585
PubChem CID:	53790278
Reduced:	PSN3C5H16 (1)
Stoich.:	ABC3D5E16 (1)
Weight, g/mol:	398.391252
ΔH_f, kcal/mol:	-47.9
Dipole, Da:	3.46
IP(EA), eV:	-8.79(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-8-hexyl-9-methyl-4-(2-propan-2-ylspiro[3.3]heptan-6-yl)tricyclo[5.3.0.02,6]decane

Drug info:

PubChemData

Smile

CCC(C)N(C)P(=N)(N)S

DOS

IR

Vibrations