Geometry & MOs

Info

ID:	187820
PubChem CID:	77629882
Reduced:	ClON5C25H28 (1)
Stoich.:	ABC5D25E28 (1)
Weight, g/mol:	663.34773
ΔH_f, kcal/mol:	9.57
Dipole, Da:	6.14
IP(EA), eV:	-8.13(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;octadecanoic acid;zinc

Drug info:

PubChemData

Smile

CC1CN(CC(N1)C)C2=NC=C(C=C2)C(=O)NC3=CC(=C(C=C3)Cl)NC4=CC=CC(=C4)C

DOS

IR

Vibrations