Geometry & MOs

Info

ID:	206127
PubChem CID:	80208441
Reduced:	OBr2N2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	270.03678
ΔH_f, kcal/mol:	17.22
Dipole, Da:	2.95
IP(EA), eV:	-8.9(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromopyridin-3-yl)-(oxan-4-yl)methanamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)CC(C2=CC(=CN=C2)Br)N

DOS

IR

Vibrations