Geometry & MOs

Info

ID:	331348
PubChem CID:	127248755
Reduced:	O3N6C23H30 (1)
Stoich.:	A3B6C23D30 (1)
Weight, g/mol:	441.254003
ΔH_f, kcal/mol:	-61.02
Dipole, Da:	3.61
IP(EA), eV:	-8.62(-0.31)
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-(4-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations