Geometry & MOs

Info

ID:	187761
PubChem CID:	77620807
Reduced:	ClNO3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	-56.03
Dipole, Da:	2.13
IP(EA), eV:	-9.66(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]pyrimidin-4-yl]-1,3-diphenylurea

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=O)C2C=CC=C(C2=N1)Cl

DOS

IR

Vibrations