Geometry & MOs

Info

ID:	202135
PubChem CID:	79634054
Reduced:	NSO2C15H27 (1)
Stoich.:	ABC2D15E27 (1)
Weight, g/mol:	297.241627
ΔH_f, kcal/mol:	-125.84
Dipole, Da:	2.36
IP(EA), eV:	-8.58(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCNC1(CCCC(C1)SC2CCCC2)C(=O)OC

DOS

IR

Vibrations