Geometry & MOs

Info

ID:	272708
PubChem CID:	103752320
Reduced:	BrON2C9H11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	355.05315
ΔH_f, kcal/mol:	-18.93
Dipole, Da:	5.03
IP(EA), eV:	-9.79(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[1-(2-bromopyridine-4-carbonyl)piperidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C1=CC(=NC=C1)Br

DOS

IR

Vibrations