Geometry & MOs

Info

ID:	201498
PubChem CID:	79546950
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	281.283098
ΔH_f, kcal/mol:	-105.79
Dipole, Da:	3.87
IP(EA), eV:	-9.23(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-diethyl-N-(2-pyrrolidin-2-ylcyclohexyl)propane-1,3-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CCC(=O)N2CCCC2CC(C)O

DOS

IR

Vibrations