Geometry & MOs

Info

ID:	81239
PubChem CID:	49854496
Reduced:	ON9C23H23 (1)
Stoich.:	AB9C23D23 (1)
Weight, g/mol:	429.202556
ΔH_f, kcal/mol:	113.64
Dipole, Da:	4.51
IP(EA), eV:	-8.51(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4)C5CC5

DOS

IR

Vibrations