Geometry & MOs

Info

ID:	219149
PubChem CID:	85090986
Reduced:	NO3C11H13 (3)
Stoich.:	AB3C11D13 (3)
Weight, g/mol:	622.510485
ΔH_f, kcal/mol:	-325.1
Dipole, Da:	6.78
IP(EA), eV:	-8.8(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[12-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enyl]-3,6-diethoxy-2-propan-2-yl-2H-pyrazin-5-yl]methanol

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NN=C6CCCCC6)C)O)N)O

DOS

IR

Vibrations