Geometry & MOs

Info

ID:	271601
PubChem CID:	103685390
Reduced:	NO3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	259.097521
ΔH_f, kcal/mol:	-110.05
Dipole, Da:	3.41
IP(EA), eV:	-8.88(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]phenol

Drug info:

PubChemData

Smile

COCC(CCO)NCC1=CC=CC=C1OC

DOS

IR

Vibrations