Geometry & MOs

Info

ID:	297131
PubChem CID:	117609925
Reduced:	ClON2C20H23 (1)
Stoich.:	ABC2D20E23 (1)
Weight, g/mol:	545.263819
ΔH_f, kcal/mol:	2.0
Dipole, Da:	6.45
IP(EA), eV:	-8.84(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)pyridin-3-yl]pyridin-3-yl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCCN(CC1)CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)Cl

DOS

IR

Vibrations