Geometry & MOs

Info

ID:	209372
PubChem CID:	80662099
Reduced:	BrNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	301.10413
ΔH_f, kcal/mol:	-84.4
Dipole, Da:	3.79
IP(EA), eV:	-9.43(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromopropyl)-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N(CCCBr)C(=O)C1=CC=CC=C1O

DOS

IR

Vibrations