Geometry & MOs

Info

ID:	189507
PubChem CID:	77866973
Reduced:	F2O3N5C24H27 (1)
Stoich.:	A2B3C5D24E27 (1)
Weight, g/mol:	467.233268
ΔH_f, kcal/mol:	-126.62
Dipole, Da:	2.39
IP(EA), eV:	-9.28(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(5-methoxy-4-methyl-2-phenylpyrazol-3-yl)urea

Drug info:

PubChemData

Smile

COCCN1CC(C(C1)NC(=O)NC2=C(C=NN2C3=CC=CC=C3)CO)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations