Geometry & MOs

Info

ID:	81328
PubChem CID:	49854607
Reduced:	ON9C21H27 (1)
Stoich.:	AB9C21D27 (1)
Weight, g/mol:	435.249507
ΔH_f, kcal/mol:	41.78
Dipole, Da:	4.33
IP(EA), eV:	-8.26(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[4-[[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]urea

Drug info:

PubChemData

Smile

CCC1=NC(=NC(=N1)NC2=NNC(=C2)C)NC3=CC=C(C=C3)NC(=O)NC4CCCC4

DOS

IR

Vibrations