Geometry & MOs

Info

ID:	26535
PubChem CID:	651832
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-16.66
Dipole, Da:	6.59
IP(EA), eV:	-8.27(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 1-(3-aminopropyl)-5-methylindole-2,3-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NN=C(C=C2)N3CCC4=CC(=C(C=C4C3)OC)OC

DOS

IR

Vibrations