Geometry & MOs

Info

ID:	290540
PubChem CID:	104643526
Reduced:	NSO2C9H13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	273.113171
ΔH_f, kcal/mol:	-71.48
Dipole, Da:	2.13
IP(EA), eV:	-8.88(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-methoxy-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)SCC(CN)O)O

DOS

IR

Vibrations