Geometry & MOs

Info

ID:	81324
PubChem CID:	49854602
Reduced:	N4O5C30H32 (1)
Stoich.:	A4B5C30D32 (1)
Weight, g/mol:	531.150968
ΔH_f, kcal/mol:	-118.31
Dipole, Da:	5.19
IP(EA), eV:	-8.5(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-chloro-3-(trifluoromethyl)phenyl]-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

C1CN(CCN1CC2=CC(=CC=C2)C3=CC=CC=C3)C4=CC=CC5=C4OC(=O)N5COC(=O)N6CCOCC6

DOS

IR

Vibrations