Geometry & MOs

Info

ID:	171513
PubChem CID:	75386526
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	268.124549
ΔH_f, kcal/mol:	-105.89
Dipole, Da:	2.94
IP(EA), eV:	-8.43(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine

Drug info:

PubChemData

Smile

CCOCCCC(=O)NC1=CC=CC2=C1C=C(C=C2)O

DOS

IR

Vibrations