Geometry & MOs

Info

ID:	49756
PubChem CID:	11533732
Reduced:	FO4N7C26H28 (1)
Stoich.:	AB4C7D26E28 (1)
Weight, g/mol:	521.272608
ΔH_f, kcal/mol:	-87.13
Dipole, Da:	5.49
IP(EA), eV:	-8.85(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-morpholin-4-yl-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-4-yl]piperidin-4-yl]ethanol

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=NC=C(N3)C(=O)NC4=CC=C(C=C4)F)OCCCN5CCOCC5

DOS

IR

Vibrations