Geometry & MOs

Info

ID:	379426
PubChem CID:	134419407
Reduced:	N3O5C13H25 (1)
Stoich.:	A3B5C13D25 (1)
Weight, g/mol:	428.313789
ΔH_f, kcal/mol:	-256.12
Dipole, Da:	7.29
IP(EA), eV:	-9.74(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,8-bis(2,2-dimethylpropyl)-4,9-bis(hydroxymethyl)-1,2,3,4,5a,6,7,8,9,10a-decahydrodibenzo-p-dioxin-4a,9a-diol

Drug info:

PubChemData

Smile

CCNC(=O)C(C)(COC(=O)NCC)COC(=O)NCC

DOS

IR

Vibrations