Geometry & MOs

Info

ID:	189506
PubChem CID:	77866972
Reduced:	F2O3N5C25H31 (1)
Stoich.:	A2B3C5D25E31 (1)
Weight, g/mol:	471.208196
ΔH_f, kcal/mol:	-136.08
Dipole, Da:	5.27
IP(EA), eV:	-8.97(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-(hydroxymethyl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CC=C(C=C2)CO)NC(=O)NC3CN(CC3C4=CC(=C(C=C4)F)F)CCOC

DOS

IR

Vibrations