Geometry & MOs

Info

ID:	351053
PubChem CID:	127279490
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	335.232125
ΔH_f, kcal/mol:	-63.23
Dipole, Da:	5.71
IP(EA), eV:	-8.77(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butylpyrimidin-5-yl)-3-[2-(3,3-dimethylmorpholin-4-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC=C(C=N1)NC(=O)N2CCCC2C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations