Geometry & MOs

Info

ID:	169269
PubChem CID:	75083359
Reduced:	ON5C25H29 (1)
Stoich.:	AB5C25D29 (1)
Weight, g/mol:	528.209673
ΔH_f, kcal/mol:	40.71
Dipole, Da:	2.76
IP(EA), eV:	-8.65(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-N-[4-[3-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolidin-4-yl]pyridin-2-yl]butanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C3C(CNN3)C4=CC=NC=C4

DOS

IR

Vibrations