Geometry & MOs

Info

ID:	218047
PubChem CID:	85088788
Reduced:	F3N4O4C19H19 (1)
Stoich.:	A3B4C4D19E19 (1)
Weight, g/mol:	428.202382
ΔH_f, kcal/mol:	-266.31
Dipole, Da:	4.56
IP(EA), eV:	-9.14(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-phenylpyrazolidin-3-yl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC3=C(CC4=C(CO3)C=NN4CC(F)(F)F)C=C2

DOS

IR

Vibrations