Geometry & MOs

Info

ID:	201581
PubChem CID:	79559415
Reduced:	NOSC14H19 (1)
Stoich.:	ABCD14E19 (1)
Weight, g/mol:	306.06193
ΔH_f, kcal/mol:	-26.89
Dipole, Da:	2.75
IP(EA), eV:	-9.24(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromophenyl)propan-2-one

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)CC2CC3CCC2C3

DOS

IR

Vibrations