Geometry & MOs

Info

ID:	267289
PubChem CID:	103581637
Reduced:	BrClNOC14H19 (1)
Stoich.:	ABCDE14F19 (1)
Weight, g/mol:	324.00289
ΔH_f, kcal/mol:	-38.83
Dipole, Da:	4.77
IP(EA), eV:	-9.26(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-[(4-bromo-3-chlorophenyl)methyl]-1-pyridin-3-ylethanamine

Drug info:

PubChemData

Smile

C1CCC(C1)OCCNCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations