Geometry & MOs

Info

ID:	308720
PubChem CID:	126522416
Reduced:	SN7H15C21 (1)
Stoich.:	AB7C15D21 (1)
Weight, g/mol:	355.154544
ΔH_f, kcal/mol:	229.84
Dipole, Da:	5.48
IP(EA), eV:	-8.5(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)C6=CC=CS6)/NN3

DOS

IR

Vibrations