Geometry & MOs

Info

ID:	81240
PubChem CID:	49854497
Reduced:	ON9C22H23 (1)
Stoich.:	AB9C22D23 (1)
Weight, g/mol:	463.163584
ΔH_f, kcal/mol:	85.45
Dipole, Da:	5.55
IP(EA), eV:	-8.5(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-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)NC4=CC=CC=C4

DOS

IR

Vibrations