Geometry & MOs

Info

ID:	157018
PubChem CID:	56412724
Reduced:	BrN3O4C18H26 (1)
Stoich.:	AB3C4D18E26 (1)
Weight, g/mol:	356.130298
ΔH_f, kcal/mol:	-101.03
Dipole, Da:	7.84
IP(EA), eV:	-8.81(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-fluorophenyl)-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)CC1CCCN(C1)C2=C(C=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations