Geometry & MOs

Info

ID:	437403
PubChem CID:	135226212
Reduced:	F2N3O5C17H23 (1)
Stoich.:	A2B3C5D17E23 (1)
Weight, g/mol:	536.245979
ΔH_f, kcal/mol:	-204.71
Dipole, Da:	2.02
IP(EA), eV:	-9.09(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrazolidin-4-yl]-3-[4-methyl-5-(1-methylpyrazol-4-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@H](C(CN1CCOC)[N+](=O)[O-])C2=CC(=C(C=C2)F)F

DOS

IR

Vibrations