Geometry & MOs

Info

ID:	314201
PubChem CID:	126620896
Reduced:	OSN2C18H22 (1)
Stoich.:	ABC2D18E22 (1)
Weight, g/mol:	341.321137
ΔH_f, kcal/mol:	-6.96
Dipole, Da:	2.1
IP(EA), eV:	-8.21(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[3-[3-(2-methylpentan-3-ylphosphanyl)pentan-2-yl]cyclohexyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNC(C3)O)C

DOS

IR

Vibrations