Geometry & MOs

Info

ID:	331345
PubChem CID:	127248752
Reduced:	FO2N5C22H28 (1)
Stoich.:	AB2C5D22E28 (1)
Weight, g/mol:	413.222703
ΔH_f, kcal/mol:	-65.24
Dipole, Da:	7.9
IP(EA), eV:	-8.52(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)CC(=O)N3CCCC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations