Geometry & MOs

Info

ID:	393181
PubChem CID:	135019634
Reduced:	BrMgZnO5H29C34 (1)
Stoich.:	ABCD5E29F34 (1)
Weight, g/mol:	457.188923
ΔH_f, kcal/mol:	-96.1
Dipole, Da:	3.36
IP(EA), eV:	-8.15(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 9-benzyl-1-hydroxy-4-(3-methylbut-2-enyl)carbazole-2,3-dicarboxylate

Drug info:

PubChemData

Smile

C=C/C=C/[C@H]1[C@@H](CO[C@H](O1)C2=CC=CC=C2)O.C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)[O-])O.[Mg+2].[Zn].[Br-]

DOS

IR

Vibrations