Geometry & MOs

Info

ID:	292210
PubChem CID:	114492869
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	225.152892
ΔH_f, kcal/mol:	-129.86
Dipole, Da:	3.74
IP(EA), eV:	-8.69(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-fluoro-2-methylanilino)methyl]pentan-3-ol

Drug info:

PubChemData

Smile

CCC(C)(CNC1CCC(CC1)C(=O)N)O

DOS

IR

Vibrations