Geometry & MOs

Info

ID:	368030
PubChem CID:	127326626
Reduced:	ON5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	5.51
Dipole, Da:	2.64
IP(EA), eV:	-8.65(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[4-(4-methylpyrimidin-2-yl)phenyl]-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2=CC=C(C=C2)NC(=O)N3CCN(CC3)C4CCCC4

DOS

IR

Vibrations