Geometry & MOs

Info

ID:	125948
PubChem CID:	50945086
Reduced:	NO5H13C14 (1)
Stoich.:	AB5C13D14 (1)
Weight, g/mol:	369.171336
ΔH_f, kcal/mol:	-194.47
Dipole, Da:	6.54
IP(EA), eV:	-9.08(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3-(4-fluorophenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=CC=CC=C2N1)CC(C(=O)O)C(=O)O

DOS

IR

Vibrations