Geometry & MOs

Info

ID:	354254
PubChem CID:	127286218
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	335.232125
ΔH_f, kcal/mol:	17.29
Dipole, Da:	4.19
IP(EA), eV:	-8.89(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butylpyrimidin-5-yl)-3-(3-morpholin-4-ylbutan-2-yl)urea

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)NC3=CC=C(C=C3)CN4C=CC=N4

DOS

IR

Vibrations