Geometry & MOs

Info

ID:	331417
PubChem CID:	127248824
Reduced:	FO3N6C22H23 (1)
Stoich.:	AB3C6D22E23 (1)
Weight, g/mol:	396.207388
ΔH_f, kcal/mol:	-46.94
Dipole, Da:	4.98
IP(EA), eV:	-8.87(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-N,N-dimethyl-4-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C(=O)COC3=CC=CC=C3F)C4=CN=CN=C4

DOS

IR

Vibrations