Geometry & MOs

Info

ID:	449919
PubChem CID:	135302541
Reduced:	ClNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	534.212787
ΔH_f, kcal/mol:	-35.72
Dipole, Da:	1.27
IP(EA), eV:	-9.21(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-[(3E)-3-[4-(1,3-benzodioxol-5-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]amino]pentan-1-ol

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)NCC(C=O)Cl

DOS

IR

Vibrations