Geometry & MOs

Info

ID:	297185
PubChem CID:	117612160
Reduced:	NPSO7C16H36 (1)
Stoich.:	ABCD7E16F36 (1)
Weight, g/mol:	348.193674
ΔH_f, kcal/mol:	-414.83
Dipole, Da:	4.97
IP(EA), eV:	-9.04(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-6,6,9-trimethyl-7,8-dihydrobenzo[c]chromene-1,6a,7,10a-tetrol

Drug info:

PubChemData

Smile

C[C@@H](C(C)(C)C)O[C@@H](CN(C(C)(C)C)S(=O)(=O)C)COCCP(=O)(O)O

DOS

IR

Vibrations