Geometry & MOs

Info

ID:	25619
PubChem CID:	627482
Reduced:	O2P2C27H50 (1)
Stoich.:	A2B2C27D50 (1)
Weight, g/mol:	303.147058
ΔH_f, kcal/mol:	-247.16
Dipole, Da:	4.41
IP(EA), eV:	-9.06(2.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol

Drug info:

PubChemData

Smile

C1CCC(CC1)P(=O)(CCCP(=O)(C2CCCCC2)C3CCCCC3)C4CCCCC4

DOS

IR

Vibrations