Geometry & MOs

Info

ID:	48431
PubChem CID:	10547994
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	383.246044
ΔH_f, kcal/mol:	-82.8
Dipole, Da:	3.73
IP(EA), eV:	-9.38(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[(4R,4aR,7aS,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]hexan-1-ol

Drug info:

PubChemData

Smile

CO/C(=C(/C(=O)C1(CCCN(C1=O)CC2=CC=CC=C2)CCCC=C)\[N+]#N)/[O-]

DOS

IR

Vibrations