Geometry & MOs

Info

ID:	163867
PubChem CID:	74380571
Reduced:	BrO3N5C32H36 (1)
Stoich.:	AB3C5D32E36 (1)
Weight, g/mol:	352.195092
ΔH_f, kcal/mol:	2.0
Dipole, Da:	6.09
IP(EA), eV:	-8.38(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylpiperidin-1-yl)-[2-[6-(4-fluorophenyl)pyridin-3-yl]cyclopropyl]methanone

Drug info:

PubChemData

Smile

C1CCC2(CC1)C(=C(C2=O)Br)NC(CC3=CC=C(C=C3)N4C(=NC5=C(C=CN=C54)NCC6CC6)CC7CC7)C(=O)O

DOS

IR

Vibrations