Geometry & MOs

Info

ID:	331413
PubChem CID:	127248820
Reduced:	FON6C21H25 (1)
Stoich.:	ABC6D21E25 (1)
Weight, g/mol:	396.207388
ΔH_f, kcal/mol:	22.03
Dipole, Da:	5.46
IP(EA), eV:	-8.75(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-fluorophenyl)-N,N-dimethyl-4-[4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)F)N(C)C

DOS

IR

Vibrations