Geometry & MOs

Info

ID:	223971
PubChem CID:	85336412
Reduced:	ClFNOC24H29 (1)
Stoich.:	ABCDE24F29 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-71.1
Dipole, Da:	1.87
IP(EA), eV:	-8.8(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-(2-cyanophenyl)-3-hydroxycyclobutyl]pyrazolidin-3-yl]-2-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)F)CC2(C(CCCC2=CC3=CC=C(C=C3)Cl)CN(C)C)O

DOS

IR

Vibrations