Geometry & MOs

Info

ID:	432932
PubChem CID:	135173069
Reduced:	O3N6C17H18 (1)
Stoich.:	A3B6C17D18 (1)
Weight, g/mol:	537.240085
ΔH_f, kcal/mol:	-12.42
Dipole, Da:	3.09
IP(EA), eV:	-8.91(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-[3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-methylidenepyrazol-4-yl]-N-methyl-1-pyrazin-2-ylethenamine

Drug info:

PubChemData

Smile

C/C(=N\NC(=O)CNC1=NNC(=O)NC1=O)/C=C/C=C/C2=CC=CC=C2

DOS

IR

Vibrations