Geometry & MOs

Info

ID:	290221
PubChem CID:	104420873
Reduced:	BrFN2O2C13H18 (1)
Stoich.:	ABC2D2E13F18 (1)
Weight, g/mol:	212.152478
ΔH_f, kcal/mol:	-115.85
Dipole, Da:	5.29
IP(EA), eV:	-9.27(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-3-(pent-4-ynylamino)propanamide

Drug info:

PubChemData

Smile

COCCNC(=O)CCNCC1=C(C(=CC=C1)F)Br

DOS

IR

Vibrations