Geometry & MOs

Info

ID:	155603
PubChem CID:	56366192
Reduced:	Br2N2O3H12C14 (1)
Stoich.:	A2B2C3D12E14 (1)
Weight, g/mol:	407.08445
ΔH_f, kcal/mol:	-69.28
Dipole, Da:	5.42
IP(EA), eV:	-8.99(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC(=C1)Br)C(=O)NC2=C(C=CC(=C2)Br)NC(=O)C

DOS

IR

Vibrations