Geometry & MOs

Info

ID:	331395
PubChem CID:	127248802
Reduced:	FO3N6C20H21 (1)
Stoich.:	AB3C6D20E21 (1)
Weight, g/mol:	410.223038
ΔH_f, kcal/mol:	-11.59
Dipole, Da:	4.54
IP(EA), eV:	-8.95(-0.97)
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-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NON=C1C(=O)N2CCOC(C2)C3=NC(=NC=C3C4=CC(=CC=C4)F)N(C)C

DOS

IR

Vibrations