Geometry & MOs

Info

ID:	168768
PubChem CID:	75015807
Reduced:	O3N7H41C49 (1)
Stoich.:	A3B7C41D49 (1)
Weight, g/mol:	250.19328
ΔH_f, kcal/mol:	139.19
Dipole, Da:	4.53
IP(EA), eV:	-8.74(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-6,6,9a-trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3C=CC4=CC=NC=C4)N(C)C(=O)CNC(=O)C=CC5=CN=C(C=C5)C=CC6=CC=NC=C6)C=CC7=CC=NC=C7)C=C1

DOS

IR

Vibrations