Geometry & MOs

Info

ID:	282139
PubChem CID:	103916777
Reduced:	ClN2O2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	298.03169
ΔH_f, kcal/mol:	-107.75
Dipole, Da:	3.12
IP(EA), eV:	-8.77(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-bromopyridin-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C(C)(C)O)NC(=O)NC1=CC=CC=C1Cl

DOS

IR

Vibrations