Geometry & MOs

Info

ID:	331367
PubChem CID:	127248774
Reduced:	O2N5C24H33 (1)
Stoich.:	A2B5C24D33 (1)
Weight, g/mol:	426.243104
ΔH_f, kcal/mol:	-35.26
Dipole, Da:	6.59
IP(EA), eV:	-8.77(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-1-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)CC3CCCCC3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations