Geometry & MOs

Info

ID:	156859
PubChem CID:	56394755
Reduced:	BrN2O5C23H27 (1)
Stoich.:	AB2C5D23E27 (1)
Weight, g/mol:	427.221954
ΔH_f, kcal/mol:	-183.07
Dipole, Da:	4.2
IP(EA), eV:	-8.9(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-methylamino]acetyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)CN(C)C(=O)COC2=CC3=C(C=C2)C=C(C=C3)Br

DOS

IR

Vibrations