Geometry & MOs

Info

ID:	159051
PubChem CID:	57260075
Reduced:	SN3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	505.246438
ΔH_f, kcal/mol:	81.59
Dipole, Da:	0.77
IP(EA), eV:	-8.47(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,4aR,7R,7aS,12bS)-9-acetyloxy-1,2,3,4,4a,5,6,7,7a,13-decahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]methyl 4-(4-methoxyphenyl)butanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NN=NCCC(C2=CC=CC=C2)S

DOS

IR

Vibrations