Geometry & MOs

Info

ID:	189932
PubChem CID:	77924885
Reduced:	PN5O9C14H28 (1)
Stoich.:	AB5C9D14E28 (1)
Weight, g/mol:	208.182715
ΔH_f, kcal/mol:	-390.57
Dipole, Da:	4.75
IP(EA), eV:	-8.46(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4a,5,6-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-ol

Drug info:

PubChemData

Smile

C=NC(=CN(CCC(=O)NN)N)COC1C(C(C(C(O1)CCP(=O)(O)O)O)O)O

DOS

IR

Vibrations