Geometry & MOs

Info

ID:	443917
PubChem CID:	135260515
Reduced:	N8C23H32 (1)
Stoich.:	A8B23C32 (1)
Weight, g/mol:	478.24811
ΔH_f, kcal/mol:	112.33
Dipole, Da:	4.83
IP(EA), eV:	-8.76(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CNC2CCC(CC2)NC3=NC=CC(=N3)C4=C(N(N=C4)C)CC5CC5

DOS

IR

Vibrations