Geometry & MOs

Info

ID:	149055
PubChem CID:	53788726
Reduced:	PN3O5C12H20 (1)
Stoich.:	AB3C5D12E20 (1)
Weight, g/mol:	400.406902
ΔH_f, kcal/mol:	-240.43
Dipole, Da:	4.57
IP(EA), eV:	-8.97(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cycloicosane;1-ethyl-4-methylbenzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNNC(C[C@@H](C(=O)O)N)CP(=O)(O)O

DOS

IR

Vibrations