Geometry & MOs

Info

ID:	180581
PubChem CID:	76657227
Reduced:	ON2C12H17 (2)
Stoich.:	AB2C12D17 (2)
Weight, g/mol:	323.188529
ΔH_f, kcal/mol:	-51.1
Dipole, Da:	4.5
IP(EA), eV:	-8.88(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-9-methyl-3-propyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline

Drug info:

PubChemData

Smile

CC(C)(C)C(CC(=O)C1=C2CN(CCCN2C(=N1)C3=CC=CC=C3)C)C(=O)N(C)C

DOS

IR

Vibrations