Geometry & MOs

Info

ID:	221460
PubChem CID:	85273732
Reduced:	NO4C17H27 (1)
Stoich.:	AB4C17D27 (1)
Weight, g/mol:	309.194008
ΔH_f, kcal/mol:	-191.11
Dipole, Da:	1.71
IP(EA), eV:	-9.57(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(dimethylamino)methyl]-4,9-dihydroxy-6,10-dimethyl-3a,4,7,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one

Drug info:

PubChemData

Smile

CC(CO)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C

DOS

IR

Vibrations