Geometry & MOs

Info

ID:	125447
PubChem CID:	50924602
Reduced:	SO2N4C31H38 (1)
Stoich.:	AB2C4D31E38 (1)
Weight, g/mol:	363.121906
ΔH_f, kcal/mol:	-4.8
Dipole, Da:	7.04
IP(EA), eV:	-8.4(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(ethoxymethyl)-2-(3-nitrophenoxy)pyrido[2,3-b]indole

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CN2CCC3(CCN(CC3)C4=NC=C(S4)C(=O)NC5CC5)OC6=CC=CC=C62

DOS

IR

Vibrations