Geometry & MOs

Info

ID:	172369
PubChem CID:	75500416
Reduced:	FN2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-124.57
Dipole, Da:	2.8
IP(EA), eV:	-9.76(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N[C@@H](C)C(=O)N)F

DOS

IR

Vibrations