Geometry & MOs

Info

ID:	440858
PubChem CID:	135231873
Reduced:	SO2N3C26H31 (1)
Stoich.:	AB2C3D26E31 (1)
Weight, g/mol:	307.3239
ΔH_f, kcal/mol:	3.18
Dipole, Da:	1.88
IP(EA), eV:	-8.36(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyclobutylpropyl)-5-(3-methylcyclopentyl)octan-1-amine

Drug info:

PubChemData

Smile

C=C/C=C(\C=C\1/CC=CC(=O)N1)/OCCCCN2CCN(CC2)C3=C4C=CSC4=CC=C3

DOS

IR

Vibrations