Geometry & MOs

Info

ID:	337595
PubChem CID:	127258218
Reduced:	O2Cl3N3C14H24 (1)
Stoich.:	A2B3C3D14E24 (1)
Weight, g/mol:	745.27344
ΔH_f, kcal/mol:	-131.56
Dipole, Da:	2.49
IP(EA), eV:	-7.15(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2,3-dibenzoyloxybutanedioic acid;(1R)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

C1COCCN1C2=CC(=C(C=C2)N)N3CCOCC3.Cl.Cl.Cl

DOS

IR

Vibrations