Geometry & MOs

Info

ID:	26561
PubChem CID:	652936
Reduced:	ON5C17H17 (1)
Stoich.:	AB5C17D17 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	69.52
Dipole, Da:	6.12
IP(EA), eV:	-9.79(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-hydroxy-1,2-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]indole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2C=C(N=N2)C(=O)NCC3=CN=CC=C3

DOS

IR

Vibrations