Geometry & MOs

Info

ID:	313659
PubChem CID:	126616818
Reduced:	ClSN3H22C25 (1)
Stoich.:	ABC3D22E25 (1)
Weight, g/mol:	254.235814
ΔH_f, kcal/mol:	92.44
Dipole, Da:	2.39
IP(EA), eV:	-8.23(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R)-N-(4-aminobutyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1C(CC2=CC=CC=C21)NC3=C(C=CC(=C3)C(C4=CC=C(C=C4)Cl)C5=NC=CS5)N

DOS

IR

Vibrations