Geometry & MOs

Info

ID:	228366
PubChem CID:	87564094
Reduced:	NSO2C21H21 (1)
Stoich.:	ABC2D21E21 (1)
Weight, g/mol:	297.043567
ΔH_f, kcal/mol:	-19.08
Dipole, Da:	3.56
IP(EA), eV:	-8.39(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-dichloropyridin-3-yl)-methylamino]-1-pyridin-2-ylethanol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)SC(C)C)OC2=NC3=C(C=C2)C=C(C=C3)CC=O

DOS

IR

Vibrations