Geometry & MOs

Info

ID:	382261
PubChem CID:	134973313
Reduced:	ClNOC19H20 (1)
Stoich.:	ABCD19E20 (1)
Weight, g/mol:	283.196756
ΔH_f, kcal/mol:	-6.16
Dipole, Da:	4.9
IP(EA), eV:	-8.69(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-1-cyclohexyl-2-(methoxymethoxy)-4-trimethylsilylbut-3-yn-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)/C=C(\C1=CC=CC=C1)/C2=C(C=CC(=C2)Cl)N

DOS

IR

Vibrations