Geometry & MOs

Info

ID:	287140
PubChem CID:	104233780
Reduced:	FNO2C17H26 (1)
Stoich.:	ABC2D17E26 (1)
Weight, g/mol:	255.163457
ΔH_f, kcal/mol:	-129.54
Dipole, Da:	4.17
IP(EA), eV:	-8.99(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-2-(2-fluoro-6-methoxyphenyl)hexan-2-ol

Drug info:

PubChemData

Smile

CC1CCC(CC1)(CN)C(C)(C2=C(C=CC=C2F)OC)O

DOS

IR

Vibrations