Geometry & MOs

Info

ID:	25874
PubChem CID:	632209
Reduced:	BrN2O3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	360.132136
ΔH_f, kcal/mol:	-48.0
Dipole, Da:	2.92
IP(EA), eV:	-9.45(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3,6-bis(methoxymethyl)pyrrolo[3,2-e]indole-1,8-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3

DOS

IR

Vibrations