Geometry & MOs

Info

ID:	42415
PubChem CID:	8149531
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	281.16876
ΔH_f, kcal/mol:	-48.09
Dipole, Da:	4.63
IP(EA), eV:	-8.14(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexyl]azanium

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1OC)NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations