Geometry & MOs

Info

ID:	343045
PubChem CID:	127266218
Reduced:	ON6C19H20 (1)
Stoich.:	AB6C19D20 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	78.99
Dipole, Da:	8.57
IP(EA), eV:	-9.05(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-benzylmorpholin-4-yl)-2-ethylpyrimidine-4-carbonitrile

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=N1)NC(C2=CC(=CC=C2)OC)C3=NC=CN3C)C#N

DOS

IR

Vibrations