Geometry & MOs

Info

ID:	199567
PubChem CID:	79267481
Reduced:	SN2O2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	292.097855
ΔH_f, kcal/mol:	-51.85
Dipole, Da:	5.44
IP(EA), eV:	-9.15(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-chloro-5-methoxy-4-[(6-methylpyridin-2-yl)methoxy]phenyl]methanamine

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CSC2=C(C(=CC(=N2)C)C)C(=O)O

DOS

IR

Vibrations