Geometry & MOs

Info

ID:	430744
PubChem CID:	135170811
Reduced:	ON7C23H27 (1)
Stoich.:	AB7C23D27 (1)
Weight, g/mol:	391.237211
ΔH_f, kcal/mol:	93.9
Dipole, Da:	4.01
IP(EA), eV:	-8.92(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-aminophenyl)methylamino]cyclohexyl]-N-ethyl-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=[N+]=[N-])C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations