Geometry & MOs

Info

ID:	311116
PubChem CID:	126589448
Reduced:	FIN2O4C22H22 (1)
Stoich.:	ABC2D4E22F22 (1)
Weight, g/mol:	257.271865
ΔH_f, kcal/mol:	-172.4
Dipole, Da:	5.11
IP(EA), eV:	-9.47(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-7-(ethylamino)-4-methylundecan-2-ol

Drug info:

PubChemData

Smile

CC[C@@](CC(=O)O)(C1=CC(=O)NC(=C1)C2=NC3=C(C=C(C(=C3)F)C)C(=C2)CCI)O

DOS

IR

Vibrations