Geometry & MOs

Info

ID:	168112
PubChem CID:	74924641
Reduced:	ON2C6H8 (3)
Stoich.:	AB2C6D8 (3)
Weight, g/mol:	398.243024
ΔH_f, kcal/mol:	-69.97
Dipole, Da:	8.09
IP(EA), eV:	-8.7(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenyl)-3-[2-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CCC1CC(=O)NC(N1)N2C(=CC(=N2)C)NC(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations