Geometry & MOs

Info

ID:	140284
PubChem CID:	52675534
Reduced:	ClN3O3H14C16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	344.08995
ΔH_f, kcal/mol:	11.37
Dipole, Da:	6.7
IP(EA), eV:	-9.44(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-3-(dipropylamino)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1[N+](=O)[O-])C#N)NC[C@@H](C2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations