Geometry & MOs

Info

ID:	308740
PubChem CID:	126522436
Reduced:	ON6H18C22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	397.165108
ΔH_f, kcal/mol:	159.38
Dipole, Da:	6.49
IP(EA), eV:	-8.68(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3E)-3-pyrrolo[2,3-b]pyridin-2-ylidene-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

C1CNCC=C1C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)C6=COC=C6)/NN3

DOS

IR

Vibrations