Geometry & MOs

Info

ID:	84276
PubChem CID:	49865208
Reduced:	O4N5C30H33 (1)
Stoich.:	A4B5C30D33 (1)
Weight, g/mol:	394.211724
ΔH_f, kcal/mol:	-86.94
Dipole, Da:	7.59
IP(EA), eV:	-9.23(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(3-hydroxypropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C=C1)C(=O)NCC3=CC(=CC=C3)C4=CC=C(O4)C(=O)N[C@H](C5CCCCC5)C(=O)NC

DOS

IR

Vibrations