Geometry & MOs

Info

ID:	49558
PubChem CID:	11533254
Reduced:	FO3N5C27H28 (1)
Stoich.:	AB3C5D27E28 (1)
Weight, g/mol:	489.254003
ΔH_f, kcal/mol:	-63.79
Dipole, Da:	5.08
IP(EA), eV:	-8.93(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[5-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]pyridin-2-yl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=NN3C4=CC=C(C=C4)CO)C(C)(C)C)F

DOS

IR

Vibrations