Geometry & MOs

Info

ID:	302382
PubChem CID:	124361540
Reduced:	N3O7C22H31 (1)
Stoich.:	A3B7C22D31 (1)
Weight, g/mol:	477.215138
ΔH_f, kcal/mol:	-320.89
Dipole, Da:	6.09
IP(EA), eV:	-9.24(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[(4aR,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethoxy]-4-(4-methoxyphenyl)-8-methylchromen-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(=O)N1CCC(CC1)C(=O)N[C@H](CC2=CC=C(C=C2)O)C(=O)O

DOS

IR

Vibrations