Geometry & MOs

Info

ID:	331412
PubChem CID:	127248819
Reduced:	ON6C24H28 (1)
Stoich.:	AB6C24D28 (1)
Weight, g/mol:	396.207388
ΔH_f, kcal/mol:	77.39
Dipole, Da:	4.28
IP(EA), eV:	-8.92(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1)/CN2CCOC(C2)C3=NC(=NC=C3C4=CN=CN=C4)N(C)C

DOS

IR

Vibrations