Geometry & MOs

Info

ID:	191565
PubChem CID:	78164428
Reduced:	BNNaOF3C26H28 (1)
Stoich.:	ABCDE3F26G28 (1)
Weight, g/mol:	435.230411
ΔH_f, kcal/mol:	-282.8
Dipole, Da:	9.6
IP(EA), eV:	-8.44(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-ylsulfonyl)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

[B-](C1=CC=C(C=C1)C(=C(CC)C2=CC=CC=C2)C3=CC=C(C=C3)OCCN(C)C)(F)(F)F.[Na+]

DOS

IR

Vibrations