Geometry & MOs

Info

ID:	325451
PubChem CID:	126683341
Reduced:	N3C22H23 (1)
Stoich.:	A3B22C23 (1)
Weight, g/mol:	539.179146
ΔH_f, kcal/mol:	106.9
Dipole, Da:	3.13
IP(EA), eV:	-9.15(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (4R,7aR)-7-oxo-4a,9-bis(prop-2-enoxycarbonyloxy)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C(=C)C=C)C2=C(C=C(C=C2)C3=CC=CC=C3)C(C)C

DOS

IR

Vibrations