Geometry & MOs

Info

ID:	258943
PubChem CID:	103157491
Reduced:	BrON4C10H13 (1)
Stoich.:	ABC4D10E13 (1)
Weight, g/mol:	207.11201
ΔH_f, kcal/mol:	31.88
Dipole, Da:	4.97
IP(EA), eV:	-9.42(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-3-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine

Drug info:

PubChemData

Smile

COC(CC1=NN=C2N1C=C(C=C2)Br)CN

DOS

IR

Vibrations