Geometry & MOs

Info

ID:	149065
PubChem CID:	53788736
Reduced:	N5C15H27 (1)
Stoich.:	A5B15C27 (1)
Weight, g/mol:	314.104876
ΔH_f, kcal/mol:	53.01
Dipole, Da:	4.0
IP(EA), eV:	-8.11(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methoxy-2-(methylsulfanylmethyl)pyrimidin-4-yl] N-morpholin-4-ylcarbamate

Drug info:

PubChemData

Smile

CC(C)(C)NNC1=CCCCC1(C#N)N=NC(C)(C)C

DOS

IR

Vibrations