Geometry & MOs

Info

ID:	314812
PubChem CID:	126623395
Reduced:	BrFO4N9H23C28 (1)
Stoich.:	ABC4D9E23F28 (1)
Weight, g/mol:	383.08445
ΔH_f, kcal/mol:	-40.83
Dipole, Da:	7.21
IP(EA), eV:	-9.4(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(6-bromopyridin-2-yl)carbamoyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=C1C=C(C=C2)C3=CN4C(=CC(=N4)C(=O)N)N=C3)CC(=O)N5C[C@@H](C[C@H]5C(=O)NC6=NC(=CC=C6)Br)F

DOS

IR

Vibrations