Geometry & MOs

Info

ID:	149132
PubChem CID:	53788804
Reduced:	FN2C27H27 (1)
Stoich.:	AB2C27D27 (1)
Weight, g/mol:	239.152144
ΔH_f, kcal/mol:	63.36
Dipole, Da:	1.47
IP(EA), eV:	-9.01(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(2-methoxyphenoxy)-4-methylpentan-2-ol

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=C(C=C(C=C2)C=NN=CC3=CC=C(C=C3)CCCC=C)F

DOS

IR

Vibrations