Geometry & MOs

Info

ID:	374257
PubChem CID:	131325894
Reduced:	N5H9C11 (1)
Stoich.:	A5B9C11 (1)
Weight, g/mol:	275.01571
ΔH_f, kcal/mol:	105.09
Dipole, Da:	3.58
IP(EA), eV:	-9.46(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,2S)-1-amino-2-hydroxypropyl]-6-bromo-4-methoxyphenol

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1)NC2=NC=C(C=N2)C#N

DOS

IR

Vibrations