Geometry & MOs

Info

ID:	281014
PubChem CID:	103852399
Reduced:	BrN2O3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-137.18
Dipole, Da:	6.32
IP(EA), eV:	-9.8(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-(pyridazine-4-carbonyl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(CCO)NC(=O)CNC(=O)C1=CC=CC=C1Br

DOS

IR

Vibrations