Geometry & MOs

Info

ID:	343465
PubChem CID:	127266638
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	331.16444
ΔH_f, kcal/mol:	44.25
Dipole, Da:	5.92
IP(EA), eV:	-8.94(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-2-[3-(2-methylpyrazol-3-yl)morpholin-4-yl]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCCCN2C3=NC=NC(=C3)C#N

DOS

IR

Vibrations