Geometry & MOs

Info

ID:	430732
PubChem CID:	135170799
Reduced:	ON5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	380.23246
ΔH_f, kcal/mol:	42.78
Dipole, Da:	4.5
IP(EA), eV:	-8.51(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCC=C(C1)NCC2=NC=CC=N2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations