Geometry & MOs

Info

ID:	431225
PubChem CID:	135171295
Reduced:	ON5C24H31 (1)
Stoich.:	AB5C24D31 (1)
Weight, g/mol:	419.268511
ΔH_f, kcal/mol:	6.91
Dipole, Da:	5.99
IP(EA), eV:	-8.5(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-[[3-methyl-4-(methylamino)phenyl]methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC(=C(C=C2)N)C)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations