Geometry & MOs

Info

ID:	181866
PubChem CID:	76806531
Reduced:	ON6C16H24 (1)
Stoich.:	AB6C16D24 (1)
Weight, g/mol:	446.186652
ΔH_f, kcal/mol:	-0.01
Dipole, Da:	7.32
IP(EA), eV:	-7.72(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[2-amino-6-(4-cyano-3-fluorophenyl)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CCCCCN1C2=C(C3=C(N=CN2)N(C=N3)CCCC)NC1=O

DOS

IR

Vibrations