Geometry & MOs

Info

ID:	201582
PubChem CID:	79559416
Reduced:	BrOC16H19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-29.1
Dipole, Da:	2.35
IP(EA), eV:	-9.65(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-aminophenyl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone

Drug info:

PubChemData

Smile

C1CC2CC1CC2CC(=O)CC3=CC=CC=C3Br

DOS

IR

Vibrations