Geometry & MOs

Info

ID:	282743
PubChem CID:	103937587
Reduced:	BrN4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	277.124883
ΔH_f, kcal/mol:	73.72
Dipole, Da:	3.03
IP(EA), eV:	-9.31(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridin-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@H](C1=NC=C(C=C1)N2C=C(C=N2)Br)N

DOS

IR

Vibrations