Geometry & MOs

Info

ID:	209402
PubChem CID:	80666192
Reduced:	BrClFNOC13H16 (1)
Stoich.:	ABCDEF13G16 (1)
Weight, g/mol:	291.08339
ΔH_f, kcal/mol:	-97.83
Dipole, Da:	2.62
IP(EA), eV:	-9.66(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-3-(oxolan-2-yl)-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CC(C)N(CCBr)C(=O)CC1=C(C=CC=C1Cl)F

DOS

IR

Vibrations