Geometry & MOs

Info

ID:	331467
PubChem CID:	127248874
Reduced:	O3N5C23H29 (1)
Stoich.:	A3B5C23D29 (1)
Weight, g/mol:	438.254338
ΔH_f, kcal/mol:	-45.43
Dipole, Da:	5.37
IP(EA), eV:	-8.74(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)CC3=CCCOC3)C4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations