Geometry & MOs

Info

ID:	429288
PubChem CID:	135169256
Reduced:	ISO2N6C23H23 (1)
Stoich.:	ABC2D6E23F23 (1)
Weight, g/mol:	342.184447
ΔH_f, kcal/mol:	113.61
Dipole, Da:	4.73
IP(EA), eV:	-8.94(-2.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-4-amine

Drug info:

PubChemData

Smile

CN1CCC(CC1)N(C)C2=C3C=C(C=CC3=NC=C2[N+](=O)[O-])C4=CN(C5=C4C=CC=N5)SI

DOS

IR

Vibrations