Geometry & MOs

Info

ID:	272572
PubChem CID:	103748127
Reduced:	INO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	262.204513
ΔH_f, kcal/mol:	-77.22
Dipole, Da:	3.51
IP(EA), eV:	-9.56(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine

Drug info:

PubChemData

Smile

CCC(CCO)CNC(=O)C1=CC=CC(=C1I)C

DOS

IR

Vibrations