Geometry & MOs

Info

ID:	374016
PubChem CID:	131322365
Reduced:	BN4O4C18H31 (1)
Stoich.:	AB4C4D18E31 (1)
Weight, g/mol:	264.139371
ΔH_f, kcal/mol:	-257.67
Dipole, Da:	3.44
IP(EA), eV:	-8.98(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]urea

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)NCCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations