Geometry & MOs

Info

ID:	433661
PubChem CID:	135173801
Reduced:	N2O3C12H12 (1)
Stoich.:	A2B3C12D12 (1)
Weight, g/mol:	608.160663
ΔH_f, kcal/mol:	-28.66
Dipole, Da:	7.59
IP(EA), eV:	-8.02(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-chloro-3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]anilino]imidazo[1,2-a]pyrazine-3-carbaldehyde

Drug info:

PubChemData

Smile

CNC1=C(C(=O)C1=O)NC2=CC=C(C=C2)OC

DOS

IR

Vibrations