Geometry & MOs

Info

ID:	325456
PubChem CID:	126683362
Reduced:	O4H18C19 (1)
Stoich.:	A4B18C19 (1)
Weight, g/mol:	351.147058
ΔH_f, kcal/mol:	-100.68
Dipole, Da:	0.42
IP(EA), eV:	-8.06(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7aR)-3-(cyclopropen-1-ylmethyl)-4a-hydroxy-9-methoxy-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C3CC4=CC5=C(C=C4[C@@H]3CC2=C1)OCO5)OC

DOS

IR

Vibrations