Geometry & MOs

Info

ID:	242562
PubChem CID:	97302089
Reduced:	ClNSF3C17H17 (1)
Stoich.:	ABCD3E17F17 (1)
Weight, g/mol:	262.215747
ΔH_f, kcal/mol:	-129.26
Dipole, Da:	1.91
IP(EA), eV:	-9.38(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-2-(2-methylpropyl)pyrazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@H](CSC(F)(F)F)NCC2=CC(=CC=C2)Cl

DOS

IR

Vibrations