Geometry & MOs

Info

ID:	421030
PubChem CID:	135115256
Reduced:	O2F3N3C19H20 (1)
Stoich.:	A2B3C3D19E20 (1)
Weight, g/mol:	366.216809
ΔH_f, kcal/mol:	-205.87
Dipole, Da:	2.86
IP(EA), eV:	-9.45(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]pyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)C)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O

DOS

IR

Vibrations