Geometry & MOs

Info

ID:	445550
PubChem CID:	135267956
Reduced:	O2N5C42H57 (1)
Stoich.:	A2B5C42D57 (1)
Weight, g/mol:	174.178379
ΔH_f, kcal/mol:	24.95
Dipole, Da:	3.44
IP(EA), eV:	-8.42(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-fluoro-4,7-dimethylnonane

Drug info:

PubChemData

Smile

CC(C)CC(C(=C)C1(CO1)C)NC(=C)[C@H](CC2=CC=CC=C2)NC(=C)C(CCC3=CC=CC=C3)NC(=O)C4=NCC(=C4)CN5CCCCC5

DOS

IR

Vibrations