Geometry & MOs

Info

ID:	333235
PubChem CID:	127251784
Reduced:	FO2N6C23H25 (1)
Stoich.:	AB2C6D23E25 (1)
Weight, g/mol:	422.186652
ΔH_f, kcal/mol:	-35.75
Dipole, Da:	5.28
IP(EA), eV:	-9.27(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-2-methyl-1-[2-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CCCC(=O)N2CCOC(C2)C3=CN=CC(=N3)NC4=NC=CC=N4)F

DOS

IR

Vibrations