Geometry & MOs

Info

ID:	157010
PubChem CID:	56405101
Reduced:	O3N5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	432.06847
ΔH_f, kcal/mol:	5.7
Dipole, Da:	6.6
IP(EA), eV:	-8.84(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromophenoxy)pyridin-3-yl]-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CCC(CC1)CCNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

DOS

IR

Vibrations