Geometry & MOs

Info

ID:	175462
PubChem CID:	75908736
Reduced:	BrClN3O3C19H19 (1)
Stoich.:	ABC3D3E19F19 (1)
Weight, g/mol:	467.06561
ΔH_f, kcal/mol:	-54.71
Dipole, Da:	4.23
IP(EA), eV:	-9.16(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-bromophenyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbohydrazide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C(=O)N2CCCC2C(=O)NNC3=CC=C(C=C3)Br

DOS

IR

Vibrations