Geometry & MOs

Info

ID:	205270
PubChem CID:	80078611
Reduced:	OSN2H6C8 (1)
Stoich.:	ABC2D6E8 (1)
Weight, g/mol:	297.194008
ΔH_f, kcal/mol:	27.44
Dipole, Da:	2.96
IP(EA), eV:	-9.65(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,6-dimethoxy-4-[(propan-2-ylamino)methyl]phenoxy]butan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)C(=O)N=C=S

DOS

IR

Vibrations