Geometry & MOs

Info

ID:	187024
PubChem CID:	77519760
Reduced:	OC18H38 (1)
Stoich.:	AB18C38 (1)
Weight, g/mol:	547.220617
ΔH_f, kcal/mol:	-97.45
Dipole, Da:	2.82
IP(EA), eV:	-10.01(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,7aR,12bR)-6-benzylidene-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;formic acid;prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCCCCCCO.CCCCCC=C.CC=C

DOS

IR

Vibrations