Geometry & MOs

Info

ID:	358414
PubChem CID:	127295959
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	306.205576
ΔH_f, kcal/mol:	-160.86
Dipole, Da:	4.74
IP(EA), eV:	-8.95(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-tert-butylpyrimidin-5-yl)-1-methyl-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NC2=CC=CC=C2CN3C(=O)CCC3=O

DOS

IR

Vibrations