Geometry & MOs

Info

ID:	331464
PubChem CID:	127248871
Reduced:	ON3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	438.254338
ΔH_f, kcal/mol:	47.76
Dipole, Da:	4.9
IP(EA), eV:	-8.83(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)CN3CCOC(C3)C4=NC(=NC=C4C5=CN=CN=C5)N(C)C

DOS

IR

Vibrations