Geometry & MOs

Info

ID:	329578
PubChem CID:	126738495
Reduced:	N3O3C26H39 (1)
Stoich.:	A3B3C26D39 (1)
Weight, g/mol:	308.02488
ΔH_f, kcal/mol:	-168.27
Dipole, Da:	3.04
IP(EA), eV:	-8.27(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-2,2,6-trifluoro-4-(iodomethyl)-5-methylheptane

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC3=C2CCN(C3CC(C)C)C(=O)CCCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations