Geometry & MOs

Info

ID:	206262
PubChem CID:	80224377
Reduced:	O2S2N3C13H21 (1)
Stoich.:	A2B2C3D13E21 (1)
Weight, g/mol:	269.271865
ΔH_f, kcal/mol:	-61.19
Dipole, Da:	9.13
IP(EA), eV:	-8.68(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[cyclopentyl(3-methylbutyl)amino]methyl]-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCC1)C2=NN=C(S2)SCC(=O)O

DOS

IR

Vibrations