Geometry & MOs

Info

ID:	308683
PubChem CID:	126522379
Reduced:	ON6H14C19 (1)
Stoich.:	AB6C14D19 (1)
Weight, g/mol:	451.157915
ΔH_f, kcal/mol:	157.76
Dipole, Da:	4.92
IP(EA), eV:	-8.71(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C=CC=NC5=N4)/NN3

DOS

IR

Vibrations