Geometry & MOs

Info

ID:	49448
PubChem CID:	11533037
Reduced:	FSN4O4C23H29 (1)
Stoich.:	ABC4D4E23F29 (1)
Weight, g/mol:	476.253589
ΔH_f, kcal/mol:	-182.38
Dipole, Da:	8.79
IP(EA), eV:	-8.59(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC(CSCCNCC1=NC=C(C=C1)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C)F)O

DOS

IR

Vibrations