Geometry & MOs

Info

ID:	431175
PubChem CID:	135171245
Reduced:	ON2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	434.268176
ΔH_f, kcal/mol:	-34.82
Dipole, Da:	3.63
IP(EA), eV:	-8.57(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(3R)-3-[2-(4-methoxyphenyl)propan-2-ylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations