Geometry & MOs

Info

ID:	430733
PubChem CID:	135170800
Reduced:	ON6C21H28 (1)
Stoich.:	AB6C21D28 (1)
Weight, g/mol:	382.24811
ΔH_f, kcal/mol:	37.29
Dipole, Da:	2.68
IP(EA), eV:	-8.92(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(Z)-3-amino-2-(methyliminomethyl)prop-2-enyl]amino]cyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CN(N=C2)C)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations