Geometry & MOs

Info

ID:	149285
PubChem CID:	53788957
Reduced:	FN2O6C33H35 (1)
Stoich.:	AB2C6D33E35 (1)
Weight, g/mol:	322.359951
ΔH_f, kcal/mol:	-195.86
Dipole, Da:	5.62
IP(EA), eV:	-9.09(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5,9,13,17-pentamethyloctadec-4-ene

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC(=O)CN2C[C@@H](C([C@@H]2C3=CC=C(C=C3)OC4CC4)C(=O)O)C5=CC6=C(C(=C5)F)OCO6

DOS

IR

Vibrations