Geometry & MOs

Info

ID:	430753
PubChem CID:	135170820
Reduced:	O2N3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	407.232125
ΔH_f, kcal/mol:	-41.01
Dipole, Da:	4.53
IP(EA), eV:	-8.74(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC(=CC=C2)O)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations