Geometry & MOs

Info

ID:	273210
PubChem CID:	103770691
Reduced:	BrN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	237.172879
ΔH_f, kcal/mol:	-82.75
Dipole, Da:	3.09
IP(EA), eV:	-9.88(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxypentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(CNC(=O)C1=C(N=CC=C1)Br)O

DOS

IR

Vibrations