Geometry & MOs

Info

ID:	81427
PubChem CID:	49854713
Reduced:	N3O4C30H31 (1)
Stoich.:	A3B4C30D31 (1)
Weight, g/mol:	532.134984
ΔH_f, kcal/mol:	-74.0
Dipole, Da:	5.42
IP(EA), eV:	-8.46(-0.3)
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]oxy]phenyl]urea

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)OCN2C3=C(C(=CC=C3)N4CCN(CC4)CC5=CC(=CC=C5)C6=CC=CC=C6)OC2=O

DOS

IR

Vibrations