Geometry & MOs

Info

ID:	17372
PubChem CID:	494536
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	369.157623
ΔH_f, kcal/mol:	-173.66
Dipole, Da:	6.96
IP(EA), eV:	-8.53(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-hydroxy-10b-[(3-hydroxy-4-methoxyphenyl)methyl]-8-methoxy-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC23CCC(=O)N2CCC4=CC(=C(C=C34)O)OC)O

DOS

IR

Vibrations