Geometry & MOs

Info

ID:	308825
PubChem CID:	126522817
Reduced:	OSN6H24C28 (1)
Stoich.:	ABC6D24E28 (1)
Weight, g/mol:	445.201494
ΔH_f, kcal/mol:	162.86
Dipole, Da:	4.21
IP(EA), eV:	-8.5(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNCCC1OC2=CN=CC(=C2)C3=CC\4=C(C=C3)NN/C4=C/5\C=C6C(=CC=NC6=N5)C7=CSC=C7

DOS

IR

Vibrations