Geometry & MOs

Info

ID:	295608
PubChem CID:	117537427
Reduced:	ClON2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	266.151809
ΔH_f, kcal/mol:	-55.39
Dipole, Da:	2.22
IP(EA), eV:	-9.22(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethoxy-4-methylphenyl)-3-(oxetan-3-yl)propan-1-ol

Drug info:

PubChemData

Smile

CC(C)(CC1=CC(=CC=C1)Cl)NC(=O)CNC

DOS

IR

Vibrations