Geometry & MOs

Info

ID:	288432
PubChem CID:	104316559
Reduced:	NSO3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	225.136493
ΔH_f, kcal/mol:	-113.28
Dipole, Da:	6.04
IP(EA), eV:	-9.17(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(aminomethyl)-4-methoxyphenoxy]butan-2-ol

Drug info:

PubChemData

Smile

CC(CCSC1=NC=C(C=C1)C(=O)O)O

DOS

IR

Vibrations