Geometry & MOs

Info

ID:	430867
PubChem CID:	135170934
Reduced:	ON4C22H26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	362.210661
ΔH_f, kcal/mol:	17.1
Dipole, Da:	2.77
IP(EA), eV:	-8.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-anilinocyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NC2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations