Geometry & MOs

Info

ID:	218418
PubChem CID:	85089412
Reduced:	O3C14H16 (2)
Stoich.:	A3B14C16 (2)
Weight, g/mol:	464.253589
ΔH_f, kcal/mol:	-184.55
Dipole, Da:	3.16
IP(EA), eV:	-9.39(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano-(2-methoxyphenyl)methyl]-2-cyclohexyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2C(C(C(C(C2OCC3=CC=CC=C3)O)OCC4=CC=CC=C4)O)CO

DOS

IR

Vibrations