Geometry & MOs

Info

ID:	254133
PubChem CID:	103122927
Reduced:	ClO2N3C10H14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	299.06332
ΔH_f, kcal/mol:	-50.64
Dipole, Da:	7.92
IP(EA), eV:	-9.39(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(bromomethyl)azepan-1-yl]-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N2CCOCC2CCl

DOS

IR

Vibrations