Geometry & MOs

Info

ID:	232675
PubChem CID:	87576696
Reduced:	NSO4C9H13 (1)
Stoich.:	ABC4D9E13 (1)
Weight, g/mol:	229.01023
ΔH_f, kcal/mol:	-149.21
Dipole, Da:	5.56
IP(EA), eV:	-9.44(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-4,5,6-trimethylpyridin-3-yl)methanol

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CS(=O)(=O)O

DOS

IR

Vibrations