Geometry & MOs

Info

ID:	81235
PubChem CID:	49854492
Reduced:	N4O4H32C33 (1)
Stoich.:	A4B4C32D33 (1)
Weight, g/mol:	443.218206
ΔH_f, kcal/mol:	-56.52
Dipole, Da:	4.86
IP(EA), eV:	-8.38(-0.27)
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-(2-methylphenyl)urea

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC(=CC=C2)C3=CC=CC=C3)C4=CC=CC5=C4OC(=O)N5COC(=O)NCC6=CC=CC=C6

DOS

IR

Vibrations