Geometry & MOs

Info

ID:	335410
PubChem CID:	127254272
Reduced:	ClNO5C30H34 (1)
Stoich.:	ABC5D30E34 (1)
Weight, g/mol:	475.235873
ΔH_f, kcal/mol:	-204.34
Dipole, Da:	3.85
IP(EA), eV:	-9.41(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[(1R)-4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethoxy]-4-propylchromen-2-one

Drug info:

PubChemData

Smile

CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(C)C(=O)N3CCC4(CCCCC4[C@@H]3C5=CC=C(C=C5)Cl)O

DOS

IR

Vibrations