Geometry & MOs

Info

ID:	290220
PubChem CID:	104420838
Reduced:	ON2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	332.05357
ΔH_f, kcal/mol:	-68.17
Dipole, Da:	7.43
IP(EA), eV:	-9.01(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-bromo-3-fluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide

Drug info:

PubChemData

Smile

CC1=NC=CN1CCNCCC(=O)NCCOC

DOS

IR

Vibrations