Geometry & MOs

Info

ID:	218054
PubChem CID:	85088799
Reduced:	O5C26H32 (1)
Stoich.:	A5B26C32 (1)
Weight, g/mol:	424.236208
ΔH_f, kcal/mol:	-191.37
Dipole, Da:	2.73
IP(EA), eV:	-9.52(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-cyclopentyloxyimino-3-(cyclopropylmethyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC(=C1)CCCCCCC2=CC(=CC=C2)CCC3C(C(=O)O3)CO

DOS

IR

Vibrations