Geometry & MOs

Info

ID:	308788
PubChem CID:	126522679
Reduced:	N8H18C23 (1)
Stoich.:	A8B18C23 (1)
Weight, g/mol:	462.196823
ΔH_f, kcal/mol:	207.62
Dipole, Da:	2.44
IP(EA), eV:	-8.7(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(3E)-3-[4-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CC=NC3=N/C(=C/4\C5=C(C=CC(=C5)C6=CC(=CN=C6)N)NN4)/C=C23

DOS

IR

Vibrations