Geometry & MOs

Info

ID:	285941
PubChem CID:	104139454
Reduced:	BrSN2O2H13C14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-25.37
Dipole, Da:	4.05
IP(EA), eV:	-9.06(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methylmorpholin-4-yl)-6-propylpyridin-4-yl]methanol

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=C1)C(=O)O)SC2=NC=C(C=C2)Br

DOS

IR

Vibrations