Geometry & MOs

Info

ID:	81776
PubChem CID:	49855132
Reduced:	ON3C15H29 (1)
Stoich.:	AB3C15D29 (1)
Weight, g/mol:	447.193135
ΔH_f, kcal/mol:	-76.42
Dipole, Da:	2.67
IP(EA), eV:	-8.71(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)CC(=O)NC2CCCCC2

DOS

IR

Vibrations