Geometry & MOs

Info

ID:	282706
PubChem CID:	103936750
Reduced:	INOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	310.10446
ΔH_f, kcal/mol:	-16.06
Dipole, Da:	2.24
IP(EA), eV:	-9.09(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[(6-bromopyridin-2-yl)methyl]-1-cycloheptylethanamine

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)CC2=CC=C(C=C2)I

DOS

IR

Vibrations