Geometry & MOs

Info

ID:	299907
PubChem CID:	117928869
Reduced:	ClNF3H25C30 (1)
Stoich.:	ABC3D25E30 (1)
Weight, g/mol:	414.182254
ΔH_f, kcal/mol:	-96.83
Dipole, Da:	4.48
IP(EA), eV:	-8.87(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-aminoethoxy)-3-(4-chloro-2-methylpyrazol-3-yl)phenyl]tricyclo[3.3.1.03,7]nonane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC2=CC=CC=C21)NCC3=CC4=CC=CC=C4C(=C3)C5=CC(=CC=C5)C(F)(F)F.Cl

DOS

IR

Vibrations