Geometry & MOs

Info

ID:	331396
PubChem CID:	127248803
Reduced:	FON6C22H27 (1)
Stoich.:	ABC6D22E27 (1)
Weight, g/mol:	410.223038
ΔH_f, kcal/mol:	11.67
Dipole, Da:	5.4
IP(EA), eV:	-8.7(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CN2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)F)N(C)C

DOS

IR

Vibrations