Geometry & MOs

Info

ID:	288449
PubChem CID:	104316779
Reduced:	ClNO2C15H24 (1)
Stoich.:	ABC2D15E24 (1)
Weight, g/mol:	251.188529
ΔH_f, kcal/mol:	-109.56
Dipole, Da:	3.3
IP(EA), eV:	-8.69(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol

Drug info:

PubChemData

Smile

CC(CCOC1=C(C=C(C=C1)CNC(C)(C)C)Cl)O

DOS

IR

Vibrations